Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4284782

Cl.Nc1cc2ccc(Br)cc2s1

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
CA2 known ✓ P00918 1/20 0.34
HSP90AA1 known ✓ P07900 1/20 0.34
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.41
BACE1 P56817 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 1/20 0.38
CYP2A6 P11509 2/20 0.37
ILK Q13418 1/20 0.35
NSD1 Q96L73 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PABPC1 P11940 1/20 0.33
DHPS P49366 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4283955 0.98 MAPT (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13654389 0.81 BACE1 (0.53) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL17080670 0.76 CYP2A6 (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7898110 0.76 CA2 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL18878582 0.76 CYP2A6 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6121215 0.74 CYP2A6 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1530760 0.73 CYP2A6 (0.37) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14756124 0.73 CYP2A6 (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5646366 0.72 CYP2A6 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16693109 0.72 CYP2A6 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117480172-A Pharmaceutical compounds 葛兰素史密斯克莱知识产权发展有限公司 2024-01-30 CN disclosed
US-10414762-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-17 US disclosed
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-01-10 US disclosed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US disclosed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 US disclosed
US-9433614-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 US disclosed
US-9000008-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-20130338186-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2013-12-19 US disclosed
US-8518967-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2013-08-27 US disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-7553851-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2009-06-30 US disclosed
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
EP-1487835-B1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2006-09-20 EP 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 (7 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-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia CHRNA2, CHRNA6, CHRNA5 CA2 1636/4885HSP90AA1 758/4885MAPT 136/4885
US-10414762-B2 Amides of acetic and propionic acids HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885
US-20130338186-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CA2 157/4885HSP90AA1 1985/4885MAPT 587/4885

“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.