Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1742232

Cl.Cl.c1ccc(C2CNC2)nc1

nearest known ligand 0.50

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
CHRNB4 known ✓ P30926 4/20 0.43
CHRNA3 known ✓ P32297 4/20 0.43
DDB1 known ✓ Q16531 1/20 0.41
CRBN known ✓ Q96SW2 1/20 0.41
CCR5 known ✓ P51681 1/20 0.41
CHRNA7 known ✓ P36544 2/20 0.39
DRD4 known ✓ P21917 1/20 0.38
OPRM1 known ✓ P35372 1/20 0.38
OPRD1 known ✓ P41143 1/20 0.38
OPRK1 known ✓ P41145 1/20 0.38
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 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 SCHEMBL29550809 1.00 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL30585733 1.00 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL21640365 1.00 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1MAPTNPC1
SCHEMBL7897281 0.98 CHRNB4 (0.45) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL3972091 0.85 SLC18A3 (0.41) DDB1CRBN
Hydrochloric Acid SCHEMBL26607611 0.85 CHRNB2 (0.42) CHRNB4CHRNA3ALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL26607613 0.85 CHRNB2 (0.42) CHRNB4CHRNA3ALDH1A1MAPTNPC1
SCHEMBL3921393 0.82 SLC18A3 (0.42) DDB1CRBN
SCHEMBL3923917 0.82 SLC18A3 (0.42) DDB1CRBN
SCHEMBL29889405 0.82 SLC18A3 (0.42) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
CN-118344338-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-07-16 CN disclosed
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2024-07-04 US disclosed
US-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2024-04-02 US disclosed
CN-111989322-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
CN-113214220-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
EP-4272737-A2 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2023-11-08 EP disclosed
EP-3784663-B1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA CELGENE CORP (US) 2023-07-12 EP disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
CN-102292340-A Amino-heterocyclic compounds used as PDE9 inhibitors 2011-12-21 CN disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (8 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-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT CHRNB4 515/4885CHRNA3 252/4885DDB1 97/4885
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885DDB1 3763/4885
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A CHRNB4 87/4885CHRNA3 67/4885DDB1 3885/4885
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT CHRNB4 515/4885CHRNA3 252/4885DDB1 97/4885
US-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885DDB1 4011/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885DDB1 4011/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A CHRNB4 74/4885CHRNA3 60/4885DDB1 3763/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A CHRNB4 187/4885CHRNA3 149/4885DDB1 4011/4885

“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.