Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2492465

Cl.Cl.Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.67

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 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 known ✓ P36544 4/20 0.41
GAA known ✓ P10253 1/20 0.40
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PTPN1 P18031 4/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN2 P17706 2/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL9967272 0.99 RAB9A (0.45) RAB9AALDH1A1LMNAPTPN1NPC1
Hydrochloric Acid SCHEMBL2496118 0.88 RAB9A (0.44) RAB9AALDH1A1LMNAPTPN1NPC1
Hydrochloric Acid SCHEMBL5168269 0.87 ALDH1A1 (0.48) RAB9AALDH1A1LMNAPTPN1NPC1
Hydrochloric Acid SCHEMBL5168864 0.86 PTPN1 (0.53) RAB9AALDH1A1LMNAPTPN1MEN1
Hydrochloric Acid SCHEMBL6554324 0.86 PTPN1 (0.53) RAB9AALDH1A1LMNAPTPN1MEN1
SCHEMBL9967273 0.86 RAB9A (0.45) RAB9ALMNAPTPN1NPC1MAPT
SCHEMBL9967270 0.86 RAB9A (0.59) RAB9ALMNAPTPN1NPC1MAPT
Hydrochloric Acid SCHEMBL2495321 0.85 PTPN1 (0.64) RAB9AALDH1A1LMNAPTPN1NPC1
Hydrochloric Acid SCHEMBL5949556 0.85 LMNA (0.50) RAB9AALDH1A1LMNAPTPN1NPC1
SCHEMBL1458631 0.85 HPGD (0.47) RAB9AALDH1A1LMNAPTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180325878-A1 N-BIARYLAMIDES BAYER IP GMBH (DE) 2018-11-15 US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 US disclosed
US-9227964-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140288118-A1 N-BIARYLAMIDES BAYER INTELLECTUAL PROPERTY GMBH 2014-09-25 US disclosed
US-20120157490-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2012-06-21 US disclosed
US-8030329-B2 N-biarylamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-20080214602-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine--3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, learning and perception enhancement BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-7354930-B2 N-biarylamides BAYER HEALTHCARE AG (DE) 2008-04-08 US disclosed
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-17 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 (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-20180325878-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CHRNA7 190/4885GAA 59/4885RAB9A 3033/4885
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885GAA 1619/4885RAB9A 2375/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CHRNA7 190/4885GAA 59/4885RAB9A 3033/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE CHRNA7 30/4885GAA 193/4885RAB9A 944/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CHRNA7 190/4885GAA 59/4885RAB9A 3033/4885
US-20080214602-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine--3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, learning and perception enhancement CHRNA7, CHRNA3, CHRNA2 CHRNA7 1/4885GAA 1780/4885RAB9A 1212/4885

“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.