Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4285765

Cl.O=C(CC1CN2CCC1CC2)Nc1ccc2ccccc2c1

nearest known ligand 0.98

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
▸ GAA known ✓ P10253 1/20 0.47
▸ HTR1E known ✓ P28566 1/20 0.44
▸ S1PR3 known ✓ Q99500 1/20 0.44
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL1459283 0.99 MEN1 (0.52) MEN1KMT2AMAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL4280960 0.84 CHRNA7 (0.56) MEN1KMT2A
SCHEMBL1459680 0.83 CHRNA7 (0.55) MEN1KMT2AALDH1A1KDM4ECYP2C19
SCHEMBL28686105 0.82 CHRNA7 (0.55) MEN1KMT2AMAPTPOLBEPHX2
SCHEMBL30965967 0.82 CHRNA7 (0.55) MEN1KMT2AMAPTPOLBEPHX2
Hydrochloric Acid SCHEMBL4286552 0.81 CHRNA7 (0.45) MEN1KMT2AMAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL5166546 0.81 CHRNA7 (0.58) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5168545 0.81 SMN1; SMN2 (0.54) MAPTPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1459320 0.80 CHRNA7 (0.46) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL6556626 0.79 CHRNA7 (0.59) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414762-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-17 — — US claimed
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-01-10 — — US claimed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 — — US claimed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 — — US claimed
US-9000008-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 — — US claimed
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-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
EP-1487835-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS Bayer Aktiengesellschaft (DE) 2004-12-22 — — EP disclosed
WO-2003078430-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2003-09-25 — — 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 (6 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 GAA 465/4885HTR1E 2734/4885S1PR3 1419/4885
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GAA 465/4885HTR1E 2734/4885S1PR3 1419/4885
US-20190010150-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GAA 465/4885HTR1E 2734/4885S1PR3 1419/4885
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA GAA 465/4885HTR1E 2734/4885S1PR3 1419/4885
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 GAA 756/4885HTR1E 210/4885S1PR3 1787/4885
US-10414762-B2 Amides of acetic and propionic acids HCAR2, HCAR3, NAAA GAA 465/4885HTR1E 2734/4885S1PR3 1419/4885

“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.

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