Hydrochloric Acid

Hydrochloric Acid

SCHEMBL310124

CS(=O)(=O)CCC1CCNCC1.Cl

nearest known ligand 0.38

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
CHRM1 known ✓ P11229 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
GABRA1 known ✓ P14867 1/20 0.35
GABRG2 known ✓ P18507 1/20 0.35
GABRB3 known ✓ P28472 1/20 0.35
GABRA5 known ✓ P31644 1/20 0.35
GABRA3 known ✓ P34903 1/20 0.35
GABRA2 known ✓ P47869 1/20 0.35
GABRA6 known ✓ Q16445 1/20 0.35
ITGB3 known ✓ P05106 8/20 0.34
ITGA2B known ✓ P08514 8/20 0.34
SLC6A4 known ✓ P31645 2/20 0.34
SLC6A2 known ✓ P23975 1/20 0.34
SLC6A3 known ✓ Q01959 1/20 0.34
HRH3 known ✓ Q9Y5N1 1/20 0.33
GNAO1 P09471 3/20 0.38
GNAI3 P08754 2/20 0.36
GNAI1 P63096 2/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 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
SCHEMBL310513 0.98 CHRM1 (0.38) GNAO1CHRM1CHRM3GNAI3GNAI1
Hydrochloric Acid SCHEMBL1906833 0.88 ITGB3 (0.40) GNAO1CHRM1CHRM3GNAI3GNAI1
SCHEMBL7885967 0.86 ITGB3 (0.41) GNAO1CHRM1CHRM3GNAI3GNAI1
SCHEMBL24008966 0.82 CHRM1 (0.36) GNAO1CHRM1CHRM3GNAI3GNAI1
Hydrochloric Acid SCHEMBL29891111 0.79 GABRA5 (0.45) GNAO1CHRM1CHRM3GNAI3GNAI1
Hydrochloric Acid SCHEMBL20775305 0.79 CHRM1 (0.37) GNAO1CHRM1CHRM3GNAI3GNAI1
Hydrochloric Acid SCHEMBL1902054 0.78 GABRA5 (0.38) GNAO1CHRM1GNAI3GNAI1LMNA
SCHEMBL3048108 0.78 CYP1A2 (0.41)
SCHEMBL3046028 0.78 ALDH1A1 (0.37)
SCHEMBL230908 0.77 CHRM1 (0.38) GNAO1CHRM1CHRM3LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHRM1 3356/4885CHRM3 2293/4885GABRA1 2206/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 CHRM1 3955/4885CHRM3 3969/4885GABRA1 4784/4885
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRM1 278/4885CHRM3 2557/4885GABRA1 3738/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CHRM1 3356/4885CHRM3 2293/4885GABRA1 2206/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 CHRM1 3955/4885CHRM3 3969/4885GABRA1 4784/4885

“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.