Hydrochloric Acid

Hydrochloric Acid

SCHEMBL335331

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)=C(C)N1.Cl

nearest known ligand 0.71

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
ADRA1A known ✓ P35348 2/20 0.71
SLC6A3 known ✓ Q01959 2/20 0.71
HRH1 known ✓ P35367 1/20 0.71
OPRK1 known ✓ P41145 1/20 0.71
PDE3A known ✓ Q14432 1/20 0.71
CACNA1B known ✓ Q00975 2/20 0.57
CACNA1C known ✓ Q13936 8/20 0.55
CACNA1F known ✓ O60840 7/20 0.55
CACNA1D known ✓ Q01668 7/20 0.55
CACNA1S known ✓ Q13698 7/20 0.55
ADRA2A known ✓ P08913 2/20 0.55
CHRM2 known ✓ P08172 1/20 0.55
HTR1A known ✓ P08908 1/20 0.55
CHRM1 known ✓ P11229 1/20 0.55
DRD1 known ✓ P21728 1/20 0.55
SLC6A2 known ✓ P23975 1/20 0.55
PDE4A known ✓ P27815 1/20 0.55
SLC6A4 known ✓ P31645 1/20 0.55
OPRM1 known ✓ P35372 1/20 0.55
DRD3 known ✓ P35462 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 SCHEMBL8862902 0.95 ADORA3 (0.80) ADORA3ADRA1AMTORRAB9ASLC6A3
Hydrochloric Acid SCHEMBL8862900 0.95 ADORA3 (0.80) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL8862887 0.94 ADORA3 (0.81) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL8862889 0.94 ADORA3 (0.81) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL7590320 0.88 ADORA3 (0.90) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL5275957 0.88 ADORA3 (0.90) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL10409943 0.87 CACNA1C (0.69) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL10409941 0.87 CACNA1C (0.69) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL10411083 0.86 ADORA3 (0.66) ADORA3ADRA1AMTORRAB9ASLC6A3
SCHEMBL10411081 0.86 ADORA3 (0.66) ADORA3ADRA1AMTORRAB9ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940790-B1 POLYMORPHIC FORM OF LERCANIDIPINE HYDROCHLORIDE AND PROCESS FOR THE PREPARATION THEREOF GLENMARK PHARMACEUTICALS LTD (IN) 2015-09-02 EP disclosed
US-8097729-B2 Polymorphic form of lercanidipine hydrochloride and process for the preparation thereof GLENMARK GENERICS LTD. (IN) 2012-01-17 US disclosed
US-20110040097-A1 PROCESS FOR PREPARING LERCANIDIPINE HYDROCHLORIDE DONGWOO SYNTECH CO., LTD (KR) 2011-02-17 US disclosed
US-20090221833-A1 Polymorphic Form of Lercanidipine Hydrochloride and Process for the Preparation Thereof ALIVUS LIFE SCIENCES LIMITED (IN) 2009-09-03 US disclosed
EP-1940790-A2 POLYMORPHIC FORM OF LERCANIDIPINE HYDROCHLORIDE AND PROCESS FOR THE PREPARATION THEREOF Glenmark Pharmaceuticals Limited (IN) 2008-07-09 EP disclosed
CN-101068546-A Pharmaceutical composition, process for producing the same, and method for stabilizing dihydropyridine compound in pharmaceutical composition EISAI R&D MAN CO LTD (JP) 2007-11-07 CN disclosed
WO-2007031865-A2 POLYMORPHIC FORM OF LERCANIDIPINE HYDROCHLORIDE AND PROCESS FOR THE PREPARATION THEREOF GLENMARK PHARMACEUTICALS LIMITED (US) 2007-03-22 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-20090221833-A1 Polymorphic Form of Lercanidipine Hydrochloride and Process for the Preparation Thereof ADH1C, ADH5, CYP3A4 ADRA1A 49/4885SLC6A3 216/4885HRH1 241/4885
US-20110040097-A1 PROCESS FOR PREPARING LERCANIDIPINE HYDROCHLORIDE REN, DNPEP, PNKP ADRA1A 95/4885SLC6A3 1348/4885HRH1 645/4885

“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.