Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5862090

CNC1CCN(Cc2ccccc2)CC1.Cl

nearest known ligand 0.66

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 9/20 0.66
BCHE known ✓ P06276 5/20 0.66
SIGMAR1 known ✓ Q99720 3/20 0.59
GAA known ✓ P10253 1/20 0.57
DRD4 known ✓ P21917 2/20 0.55
DRD2 known ✓ P14416 1/20 0.55
DRD3 known ✓ P35462 1/20 0.55
HTR2A known ✓ P28223 1/20 0.55
HTR2C known ✓ P28335 1/20 0.55
HTR2B known ✓ P41595 1/20 0.55
BACE1 P56817 8/20 0.66
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CCR3 P51677 1/20 0.57
CXCR3 P49682 1/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55

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
Hydrochloric Acid SCHEMBL8055676 1.00 ACHE (0.66) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL360075 0.98 ACHE (0.68) ACHEBACE1BCHESIGMAR1KMT2A
Hydrochloric Acid SCHEMBL27735117 0.94 ACHE (0.59) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL4621350 0.92 ACHE (0.60) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL242759 0.88 ACHE (0.69) ACHEBACE1BCHESIGMAR1DRD4
SCHEMBL242760 0.88 ACHE (0.69) ACHEBACE1BCHESIGMAR1DRD4
SCHEMBL724604 0.88 ACHE (0.69) ACHEBACE1BCHESIGMAR1DRD4
Bromide SCHEMBL2497824 0.87 ACHE (0.68) ACHEBACE1BCHESIGMAR1DRD4
SCHEMBL13202835 0.85 LTA4H (0.61) ACHEBACE1BCHESIGMAR1KMT2A
Hydrochloric Acid SCHEMBL4886290 0.83 SIGMAR1 (0.56) ACHEBACE1BCHESIGMAR1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041667-B1 CCR5 modulators PFIZER, INC. (US) 2006-05-09 US disclosed
US-6846820-B2 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. (US) 2005-01-25 US disclosed
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. 2004-01-08 US disclosed
US-6649634-B2 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER, INC. 2003-11-18 US disclosed
US-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 US disclosed
US-6297269-B1 Substituted n-(indole-2-carbonyl-) amides and derivatives as glycogen phosphorylase inhibitors PFIZER INC. 2001-10-02 US disclosed
EP-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP disclosed
EP-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO 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 (2 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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM ACHE 706/4885BCHE 122/4885SIGMAR1 1558/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM ACHE 986/4885BCHE 176/4885SIGMAR1 1600/4885

“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.