Hydrochloric Acid

Hydrochloric Acid

SCHEMBL283015

Cl.Cl.O=C(O)[C@H]1CNCCN1

nearest known ligand 0.43

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
SLC6A1 known ✓ P30531 2/20 0.40
GABRP known ✓ O00591 1/20 0.36
GABRD known ✓ O14764 1/20 0.36
GABRA1 known ✓ P14867 1/20 0.36
GABRB1 known ✓ P18505 1/20 0.36
GABRG2 known ✓ P18507 1/20 0.36
GABRB3 known ✓ P28472 1/20 0.36
GABRA5 known ✓ P31644 1/20 0.36
GABRA3 known ✓ P34903 1/20 0.36
GABRA2 known ✓ P47869 1/20 0.36
GABRB2 known ✓ P47870 1/20 0.36
GABRA4 known ✓ P48169 1/20 0.36
GABRE known ✓ P78334 1/20 0.36
GABRA6 known ✓ Q16445 1/20 0.36
GABRG1 known ✓ Q8N1C3 1/20 0.36
GABRG3 known ✓ Q99928 1/20 0.36
GABRQ known ✓ Q9UN88 1/20 0.36
GRIN2D known ✓ O15399 1/20 0.35
GRIN3B known ✓ O60391 1/20 0.35
GRIN1 known ✓ Q05586 1/20 0.35

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 SCHEMBL780213 1.00 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL26648780 1.00 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL2920067 1.00 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL191366 1.00 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL28324857 1.00 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL172309 0.98
SCHEMBL170308 0.98
SCHEMBL162294 0.98
SCHEMBL28861034 0.95 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL28853863 0.95 CYP2D6 (0.41) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110251680-B Piperazine divinyl sulfonamide linker and preparation method and application thereof 上海科技大学 2022-10-18 CN claimed
CN-110251680-A A kind of piperazines divinyl sulfonamides link and the preparation method and application thereof 上海科技大学 2019-09-20 CN claimed
US-20240216361-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2024-07-04 US disclosed
US-11905274-B2 Receptor inhibitors, pharmaceutical compositions comprising the same and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2024-02-20 US disclosed
US-20230277527-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2023-09-07 US disclosed
CN-110251680-B Piperazine divinyl sulfonamide linker and preparation method and application thereof 上海科技大学 2022-10-18 CN disclosed
CN-110139652-B ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2022-10-11 CN disclosed
EP-3532062-B1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES BV (US) 2022-07-20 EP disclosed
WO-2022143610-A1 NOVEL AMIDE PYRROLE COMPOUNDS AND USE THEREOF IN MEDICAMENTS 广东东阳光药业有限公司 2022-07-07 WO disclosed
CN-114685514-A Novel amide pyrrole compound and application thereof in medicines 广东东阳光药业有限公司 2022-07-01 CN disclosed
US-20220175765-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-06-09 US disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
WO-1995000498-A1 N,N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1995-01-05 WO disclosed
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 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 (4 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-20230277527-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SLC6A1 4649/4885GABRP 861/4885GABRD 280/4885
US-20240216361-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SLC6A1 4649/4885GABRP 861/4885GABRD 280/4885
US-20220175765-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SLC6A1 4649/4885GABRP 861/4885GABRD 280/4885
US-11905274-B2 Receptor inhibitors, pharmaceutical compositions comprising the same and use thereof TACR1, TACR2, GPBAR1 SLC6A1 953/4885GABRP 235/4885GABRD 417/4885

“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.