Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3053757

COC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1.Cl

nearest known ligand 0.47

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
OPRM1 known ✓ P35372 2/20 0.41
GAA known ✓ P10253 1/20 0.39
CTSC P53634 1/20 0.47
TSHR P16473 2/20 0.41
OPRL1 P41146 2/20 0.41
CPB1 P15086 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
BACE1 P56817 2/20 0.40
EPHX2 P34913 1/20 0.40
CHEK2 O96017 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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 SCHEMBL7323379 1.00 CTSC (0.47) CTSCTSHROPRM1OPRL1CPB1
SCHEMBL15099494 0.99 CTSC (0.48) CTSCTSHROPRM1OPRL1CPB1
SCHEMBL8690915 0.99 CTSC (0.48) CTSCTSHROPRM1OPRL1CPB1
SCHEMBL8693462 0.99 CTSC (0.48) CTSCTSHROPRM1OPRL1CPB1
SCHEMBL23489128 0.88 DRD2 (0.45) CTSCTSHRCPB1CYP2C9CYP2C19
SCHEMBL28403890 0.87 CTSC (0.42) CTSCTSHROPRM1OPRL1CPB1
SCHEMBL20137259 0.87 DRD2 (0.44) CTSCTSHRCPB1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7449326 0.86 GRIK1 (0.45) CTSCOPRM1OPRL1
Hydrochloric Acid SCHEMBL5862743 0.86 GRIK1 (0.45) CTSCOPRM1OPRL1
Hydrochloric Acid SCHEMBL5862746 0.86 GRIK1 (0.45) CTSCOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 EP disclosed
US-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-07-11 US disclosed
EP-3345907-B1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-22 EP disclosed
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-10329300-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-06-25 US disclosed
US-20180201615-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. , LTD. (JP) 2018-07-19 US disclosed
EP-3345907-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-07-11 EP disclosed
US-9920060-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-03-20 US disclosed
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
EP-1414795-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-6992102-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
US-20040092559-A1 Bicyclic modulators of androgen receptor function HAMANN LAWRENCE (US) 2004-05-13 US disclosed
EP-1414795-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-05-06 EP disclosed
US-6670386-B2 For therapy of nuclear hormone receptor-associated conditions, such as age related diseases, for example sarcopenia BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030055094-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-03-20 US disclosed
WO-2003011824-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-13 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 (10 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP OPRM1 1354/4885GAA 1603/4885CTSC 148/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ OPRM1 826/4885GAA 2391/4885CTSC 237/4885
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 OPRM1 2420/4885GAA 3390/4885CTSC 2109/4885
US-11696917-B2 Agent enhancing antitumor effect using pyrazolo[3,4-d]pyrimidine compound ZYX, DPYD, ZFX OPRM1 3693/4885GAA 3698/4885CTSC 3360/4885
US-20030055094-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA OPRM1 440/4885GAA 3492/4885CTSC 1726/4885
US-20180201615-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 OPRM1 2553/4885GAA 3333/4885CTSC 2071/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP OPRM1 1354/4885GAA 1603/4885CTSC 148/4885
US-10329300-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof ERBB2, JAK2, ERBB4 OPRM1 2553/4885GAA 3333/4885CTSC 2071/4885
US-20040092559-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA OPRM1 440/4885GAA 3492/4885CTSC 1726/4885
US-20200061067-A1 AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND ZYX, DPYD, ZFX OPRM1 3693/4885GAA 3698/4885CTSC 3360/4885

“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.