Hydrochloric Acid

Hydrochloric Acid

SCHEMBL989001

COc1cccc(OC)c1OC(C)NCC1COc2ccccc2O1.Cl

nearest known ligand 0.63

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
ADRA1D known ✓ P25100 16/20 0.63
ADRA1A known ✓ P35348 16/20 0.63
ADRA1B known ✓ P35368 16/20 0.63
HTR1A known ✓ P08908 6/20 0.61
ADRA2A known ✓ P08913 1/20 0.61
ADRA2B known ✓ P18089 1/20 0.61
ADRA2C known ✓ P18825 1/20 0.61
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
PMP22 Q01453 1/20 0.63
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61

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
SCHEMBL4279935 0.99 ADRA1D (0.62) ADRA1DADRA1AADRA1BMEN1CYP3A4
Hydrochloric Acid SCHEMBL15755823 0.89 ADRA1D (0.58) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL9788804 0.88 ADRA1D (0.57) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL10583793 0.77 ADRA1D (0.55) ADRA1DADRA1AADRA1BMEN1CYP3A4
Hydrochloric Acid SCHEMBL989002 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL800982 0.76 ADRA1D (1.00) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL29387392 0.76 ADRA1D (1.00) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL13532085 0.76 POLB (0.60) LMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9027516 0.75 ADRA1D (0.68) ADRA1DADRA1AADRA1BMEN1CYP3A4
SCHEMBL9028670 0.73 ADRA1D (0.70) ADRA1DADRA1AADRA1BMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
US-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 US disclosed
EP-0391554-A1 Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1990-10-10 EP 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 (3 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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 ADRA1D 371/4885ADRA1A 136/4885ADRA1B 283/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 ADRA1D 371/4885ADRA1A 136/4885ADRA1B 283/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ADRA1D 258/4885ADRA1A 506/4885ADRA1B 430/4885

“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.