Hydrochloric Acid

Hydrochloric Acid

SCHEMBL607790

Cc1cc(Br)ccc1CN.Cl

nearest known ligand 0.46

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 11)

geneUniProtsupporting neighboursconfidence
CCR5 known ✓ P51681 1/20 0.37
SIGMAR1 known ✓ Q99720 1/20 0.34
HTR2A known ✓ P28223 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
PYCR1 P32322 2/20 0.46
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CA1 P00915 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL607749 0.98 PYCR1 (0.47) PYCR1CYP2A6CCR5ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL29507155 0.83 TAAR1 (0.50) PYCR1MAPK1HTR2ATRPM8TAAR1
Hydrochloric Acid SCHEMBL7637186 0.83 TAAR1 (0.50) PYCR1MAPK1HTR2ATRPM8TAAR1
SCHEMBL20425681 0.81 TAAR1 (0.52) PYCR1HTR2ATRPM8TAAR1
SCHEMBL29890016 0.81 TAAR1 (0.52) PYCR1HTR2ATRPM8TAAR1
SCHEMBL31142940 0.80 CYP2A6 (0.44) PYCR1CYP2A6CCR5ALDH1A1MAPK1
SCHEMBL2550855 0.80 CYP2A6 (0.44) PYCR1CYP2A6CCR5ALDH1A1MAPK1
SCHEMBL8587109 0.78 PYCR1 (0.46) PYCR1ALDH1A1SIGMAR1MAPK1CA1
Hydrochloric Acid SCHEMBL28636536 0.77 TAAR1 (0.48) PYCR1ALDH1A1TAAR1
SCHEMBL12164465 0.77 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-03-04 US disclosed
US-20250034150-A1 BTK INHIBITORS BIOGEN MA INC. 2025-01-30 US disclosed
CN-118804915-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2024-10-18 CN disclosed
EP-4429770-A1 BTK INHIBITORS Biogen MA Inc. (US) 2024-09-18 EP disclosed
US-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BEONE MEDICINES I GMBH (CH) 2024-07-25 US disclosed
CN-116981675-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-10-31 CN disclosed
EP-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 EP disclosed
WO-2023086521-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2023-05-19 WO disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
EP-3080103-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN CCR5 3491/4885SIGMAR1 4001/4885HTR2A 4511/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 CCR5 60/4885SIGMAR1 3129/4885HTR2A 2551/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN CCR5 1519/4885SIGMAR1 4189/4885HTR2A 4104/4885
US-20250034150-A1 BTK INHIBITORS BTK, SYK, LYN CCR5 1883/4885SIGMAR1 3937/4885HTR2A 4773/4885
US-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BTK, CBL, SYK CCR5 2798/4885SIGMAR1 4396/4885HTR2A 4527/4885

“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.