Hydrochloric Acid

Hydrochloric Acid

SCHEMBL467193

CN1[C@@H]2CC[C@H]1CC(n1cc(C(=O)O)c3ccccc31)C2.Cl

nearest known ligand 0.55

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
HTR3A known ✓ P46098 15/20 0.55
OPRM1 known ✓ P35372 1/20 0.48
OPRD1 known ✓ P41143 1/20 0.48
OPRK1 known ✓ P41145 1/20 0.48
HTR3E known ✓ A5X5Y0 6/20 0.47
HTR3B known ✓ O95264 6/20 0.47
HTR3D known ✓ Q70Z44 6/20 0.47
HTR3C known ✓ Q8WXA8 6/20 0.47
GAA known ✓ P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.54
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7490360 0.99 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL3724622 0.99 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL2318444 0.99 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL3724624 0.99 HTR3A (0.56) HTR3AKDM4EOPRM1OPRD1OPRK1
Iodomethane SCHEMBL1309118 0.96 HTR3A (0.54) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL12486470 0.86 KDM4E (0.69) HTR3AKDM4EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7296594 0.85 KDM4E (0.50) HTR3AKDM4EOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7300839 0.83 KDM4E (0.50) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL7297920 0.82 KDM4E (0.52) HTR3AKDM4EOPRM1OPRD1OPRK1
SCHEMBL7297917 0.82 KDM4E (0.52) HTR3AKDM4EOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253594-B2 Drug combinations for protecting against neuronal cell death UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-02-22 US claimed
US-20200129621-A1 DRUG COMBINATIONS FOR PROTECTING AGAINST NEURONAL CELL DEATH UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-04-30 US claimed
WO-2019010491-A1 DRUG COMBINATIONS FOR PROTECTING AGAINST NEURONAL CELL DEATH UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-10 WO claimed
US-20110052723-A1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US claimed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO claimed
EP-2090311-A1 Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-08-19 EP claimed
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US claimed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP claimed
US-11253594-B2 Drug combinations for protecting against neuronal cell death UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-02-22 US disclosed
US-20200129621-A1 DRUG COMBINATIONS FOR PROTECTING AGAINST NEURONAL CELL DEATH UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-04-30 US disclosed
WO-2019010491-A1 DRUG COMBINATIONS FOR PROTECTING AGAINST NEURONAL CELL DEATH UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-10 WO disclosed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP disclosed
WO-2006023703-A2 METHOD FOR TREATING SLEEP RELATED BREATHING DISORDERS CYPRESS BIOSCIENCE, INC. (US) 2006-03-02 WO disclosed
WO-2006023702-A2 METHOD FOR TREATING SLEEP RELATED BREATHING DISORDERS WITH SETIPTILINE CYPRESS BIOSCIENCE, INC. (US) 2006-03-02 WO disclosed
US-20060039866-A1 Method for treating sleep-related breathing disorders CYPRESS BIOSCIENCE, INC. 2006-02-23 US disclosed
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline CYPRESS BIOSCIENCE, INC. 2006-02-23 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 (5 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-20200129621-A1 DRUG COMBINATIONS FOR PROTECTING AGAINST NEURONAL CELL DEATH NLN, CASP3, BAX HTR3A 1056/4885OPRM1 1135/4885OPRD1 948/4885
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA OPRM1, OPRL1, OPRK1 HTR3A 55/4885OPRM1 1/4885OPRD1 5/4885
US-11253594-B2 Drug combinations for protecting against neuronal cell death NLN, CASP3, BAX HTR3A 1056/4885OPRM1 1135/4885OPRD1 948/4885
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline SETD1A, SETD7, SETD2 HTR3A 23/4885OPRM1 250/4885OPRD1 290/4885
US-20060039866-A1 Method for treating sleep-related breathing disorders DAZAP1, ZMYND8, CHAT HTR3A 191/4885OPRM1 243/4885OPRD1 394/4885

“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.