Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2334376

CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 3/20 0.98
ADRB1 known ✓ P08588 3/20 0.98
ADRB3 known ✓ P13945 3/20 0.98
HTR1A known ✓ P08908 1/20 0.49
ADRA2A known ✓ P08913 1/20 0.49
CHRM1 known ✓ P11229 1/20 0.49
DRD1 known ✓ P21728 1/20 0.49
PTGS1 known ✓ P23219 1/20 0.49
SLC6A2 known ✓ P23975 1/20 0.49
SLC6A4 known ✓ P31645 1/20 0.49
ADRA1A known ✓ P35348 1/20 0.49
OPRM1 known ✓ P35372 1/20 0.49
DRD3 known ✓ P35462 1/20 0.49
KCNH2 known ✓ Q12809 1/20 0.49
KMT2A Q03164 5/20 0.98
CYP1A2 P05177 3/20 0.98
MEN1 O00255 3/20 0.98
TP53 P04637 2/20 0.98
CYP3A4 P08684 2/20 0.98
TSHR P16473 2/20 0.98

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30541631 0.99 KMT2A (1.00) KMT2ACYP1A2MEN1ADRB2ADRB1
SCHEMBL3692842 0.99 KMT2A (1.00) KMT2ACYP1A2MEN1ADRB2ADRB1
SCHEMBL29766867 0.99 KMT2A (1.00) KMT2ACYP1A2MEN1ADRB2ADRB1
SCHEMBL20608337 0.99 KMT2A (1.00) KMT2ACYP1A2MEN1ADRB2ADRB1
Oxalic Acid SCHEMBL14354386 0.95 KMT2A (0.92) KMT2ACYP1A2MEN1ADRB2ADRB1
Oxalic Acid SCHEMBL16162598 0.95 KMT2A (0.92) KMT2ACYP1A2MEN1ADRB2ADRB1
Oxalic Acid SCHEMBL29429320 0.95 KMT2A (0.92) KMT2ACYP1A2MEN1ADRB2ADRB1
Hydrochloric Acid SCHEMBL9588039 0.87 KMT2A (0.76) KMT2ACYP1A2MEN1ADRB2ADRB1
SCHEMBL9540272 0.86 KMT2A (0.77) KMT2ACYP1A2MEN1ADRB2ADRB1
SCHEMBL9537333 0.86 KMT2A (0.77) KMT2ACYP1A2MEN1ADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS EDUSA PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
EP-1901775-B1 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2011-08-24 EP disclosed
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators DYNOGEN PHARMACUETICALS, INC. (US) 2008-11-06 US disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2008-04-10 US disclosed
EP-1539181-B1 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS INC (US) 2007-06-27 EP disclosed
EP-1795196-A2 Method of treating lower urinary tract disorders Dynogen Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070060652-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US disclosed
US-20050026909-A1 Method of treating lower urinary tract disorders DYNOGEN, INC. 2005-02-03 US disclosed
US-20050020577-A1 Method of treating lower urinary tract disorders DYNOGEN, INC. 2005-01-27 US disclosed
US-6846823-B2 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
EP-1492519-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING SMOOTH MUSCLE MODULATORS AND ALPHA-2-DELTA SUBUNIT CALCIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-01-05 EP disclosed
US-20040248979-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-12-09 US disclosed
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-28 US disclosed
US-20040209869-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US disclosed
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004084879-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING SMOOTH MUSCLE MODULATORS AND ALPHA-2-DELTA SUBUNIT CALCIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
US-20040198822-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators DYNOGEN PHARMACUETICALS, INC. (US) 2004-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 ADRB2 14/4885ADRB1 35/4885ADRB3 41/4885
US-20040248979-A1 Method of treating lower urinary tract disorders RYR2, CACNA1S, CACNA1D ADRB2 83/4885ADRB1 166/4885ADRB3 244/4885
US-20040198822-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators GABRB2, GABRD, GABRB3 ADRB2 19/4885ADRB1 60/4885ADRB3 71/4885
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators CACNB2, RYR2, FABP2 ADRB2 327/4885ADRB1 895/4885ADRB3 999/4885
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R ADRB2 98/4885ADRB1 143/4885ADRB3 198/4885
US-20070060652-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators GABRB2, GABRB3, GABRB1 ADRB2 5/4885ADRB1 32/4885ADRB3 40/4885
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 ADRB2 5/4885ADRB1 32/4885ADRB3 40/4885
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators GABRB2, GABRB3, GABRB1 ADRB2 4/4885ADRB1 25/4885ADRB3 31/4885
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators SLC10A2, VIPR2, TRPV1 ADRB2 438/4885ADRB1 507/4885ADRB3 564/4885
US-20050020577-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, HTR3C ADRB2 53/4885ADRB1 69/4885ADRB3 19/4885
US-20040209869-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, MME ADRB2 47/4885ADRB1 64/4885ADRB3 28/4885
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators CACNA1G, CACNA1D, CACNA1B ADRB2 257/4885ADRB1 301/4885ADRB3 437/4885
US-20050026909-A1 Method of treating lower urinary tract disorders HTR3A, HTR3B, HTR3C ADRB2 53/4885ADRB1 69/4885ADRB3 19/4885
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 ADRB2 5/4885ADRB1 32/4885ADRB3 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.