Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2458097

CN1CCCC(N)C1=O.Cl

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 10)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 6/20 0.39
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
MAPK1 P28482 1/20 0.34
GRM5 P41594 3/20 0.31

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 SCHEMBL31043356 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2458091 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL22654876 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL2386755 0.98
SCHEMBL30324543 0.98
SCHEMBL2386749 0.98
SCHEMBL15124193 0.98
Hydrochloric Acid SCHEMBL2458517 0.94 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2458514 0.94 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL1189733 0.91 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
US-20250326739-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS INC (US) 2025-10-23 US disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
EP-4504733-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2025-02-12 EP disclosed
US-12139471-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-11-12 US disclosed
WO-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2022-08-11 US disclosed
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 EP disclosed
US-11254653-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2022-02-22 US disclosed
US-11208399-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2021-12-28 US disclosed
CN-113784957-A NLRP3 inflammasome inhibitor 诺华股份有限公司 2021-12-10 CN disclosed
WO-2020234715-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-11-26 WO disclosed
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 US disclosed
US-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 US disclosed
US-8772277-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-08 US disclosed
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-03-21 US disclosed
WO-2013018929-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-07 WO disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 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 (11 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-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-20130072467-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ESRRA, ESRRB, ESR2 DPP4 3552/4885CYP3A4 2460/4885TSHR 512/4885
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPK1, MAPK4, BRIX1 DPP4 4751/4885CYP3A4 4137/4885TSHR 1674/4885
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-20250326739-A1 CD38 MODULATORS AND USES THEREOF CD38, CD22, CD47 DPP4 2930/4885CYP3A4 3646/4885TSHR 1667/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 DPP4 308/4885CYP3A4 484/4885TSHR 2887/4885
US-12139471-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-11208399-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 DPP4 326/4885CYP3A4 784/4885TSHR 2465/4885

“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.