Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2149707

C[C@@H](N)c1cccc(Cl)c1.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 19)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.52
OPRM1 known ✓ P35372 2/20 0.45
OPRD1 known ✓ P41143 2/20 0.45
OPRK1 known ✓ P41145 2/20 0.45
GLA known ✓ P06280 1/20 0.44
ADRA1D known ✓ P25100 1/20 0.41
PNMT P11086 2/20 0.52
LMNA P02545 2/20 0.45
OPRL1 P41146 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACP3 P15309 1/20 0.42
SLC2A1 P11166 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41

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 SCHEMBL1002485 1.00 ADRB2 (0.52) ADRB2PNMTLMNAOPRM1OPRD1
Hydrochloric Acid SCHEMBL19205719 1.00 ADRB2 (0.52) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL382596 0.98 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL13666761 0.98 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL2032469 0.98 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL148751 0.98 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL30504213 0.98 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1
SCHEMBL11747206 0.87 OPRM1 (0.50) ADRB2PNMTOPRM1OPRD1OPRK1
SCHEMBL4592741 0.85 ADRB2 (0.52) ADRB2PNMTLMNAOPRM1OPRD1
Hydrochloric Acid SCHEMBL4413207 0.81 ADRB2 (0.54) ADRB2PNMTLMNAOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119522208-A Effective methods for modulating NMDA receptor-mediated toxicity 智基药业有限公司 2025-02-25 CN disclosed
CN-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
EP-3909584-B1 PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-12-13 EP disclosed
US-20230285397-A1 EGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-08-17 US disclosed
CN-116368136-A EGFR inhibitors 大鹏药品工业株式会社 2023-06-30 CN disclosed
EP-4197538-A1 EGFR INHIBITOR Taiho Pharmaceutical Co., Ltd. (JP) 2023-06-21 EP disclosed
EP-4183395-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT Taiho Pharmaceutical Co., Ltd. (JP) 2023-05-24 EP disclosed
EP-3909584-A1 PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2021-11-17 EP disclosed
CN-113271950-A Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-08-17 CN disclosed
US-11078207-B2 Substituted pyrrolo[2,3-d]pyrimidines as HER2 inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-08-03 US disclosed
US-20210024530-A1 PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-28 US disclosed
WO-2020145374-A1 PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-07-16 WO disclosed
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
EP-2341044-A1 CYCLOALKYLAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-07-06 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 (6 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-20210024530-A1 PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, EGFR, ERBB4 ADRB2 1671/4885OPRM1 1492/4885OPRD1 2535/4885
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL ADRB2 16/4885OPRM1 769/4885OPRD1 348/4885
US-11078207-B2 Substituted pyrrolo[2,3-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 ADRB2 1579/4885OPRM1 1272/4885OPRD1 1467/4885
US-20230285397-A1 EGFR INHIBITOR EGFR, ERBB2, ERBB4 ADRB2 3408/4885OPRM1 2989/4885OPRD1 2818/4885
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TYMP, DPYD, TYMS ADRB2 3749/4885OPRM1 3647/4885OPRD1 4178/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL ADRB2 16/4885OPRM1 769/4885OPRD1 348/4885

“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.