Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1419282

COc1ccc(C=C2CCCN=C2c2cccnc2)cc1OC1CCCC1.Cl.Cl

nearest known ligand 0.68

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 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 known ✓ P30926 2/20 0.58
CHRNA3 known ✓ P32297 2/20 0.58
CHRNA7 known ✓ P36544 2/20 0.58
CHRNA1 known ✓ P02708 1/20 0.58
CHRNG known ✓ P07510 1/20 0.58
CHRNB1 known ✓ P11230 1/20 0.58
CHRND known ✓ Q07001 1/20 0.58
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
BRCA1 P38398 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL6515273 0.99 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2260113 0.83 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2260112 0.83 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12363702 0.82 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2259273 0.82 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2259276 0.82 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12363673 0.82 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260739 0.82 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260737 0.82 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2262866 0.81 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994199-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-08-09 US disclosed
EP-2305664-A1 Anabaseine derivatives useful in the treatment of neurodegeneratives diseases Memory Pharmaceuticals Corporation (US) 2011-04-06 EP disclosed
EP-2298759-A1 Anabaseine derivatives useful in the treatment of neurodegenerative diseases Memory Pharmaceuticals Corporation (US) 2011-03-23 EP disclosed
EP-2298758-A1 Anabaseine derivatives useful in the treatment of neurodegenerative diseases Memory Pharmaceuticals Corporation (US) 2011-03-23 EP disclosed
US-20100173891-A1 HETEROCYCLIC COMPOUNDS, METHODS FOR THE PREPARATION THEREOF, AND USES THEREOF HERBERT BRIAN 2010-07-08 US disclosed
US-7700630-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
US-20090105215-A1 3-Quinolin-2-ylmethylene-3,4,5,6-terahydro[2,3']bipyridinyl; for therapy and prophylaxis of psychotic diseases, neurodegenerative diseases involving a dysfunction of the cholinergic system HERBERT BRIAN 2009-04-23 US disclosed
US-7244745-B2 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. (US) 2007-07-17 US disclosed
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. 2004-11-18 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 (3 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-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof CHRNA1, CHRNA4, CHRNA3 CHRNB4 14/4885CHRNA3 3/4885CHRNA7 11/4885
US-20090105215-A1 3-Quinolin-2-ylmethylene-3,4,5,6-terahydro[2,3']bipyridinyl; for therapy and prophylaxis of psychotic diseases, neurodegenerative diseases involving a dysfunction of the cholinergic system CHRNA3, CHRNA2, CHRNA5 CHRNB4 17/4885CHRNA3 1/4885CHRNA7 5/4885
US-20100173891-A1 HETEROCYCLIC COMPOUNDS, METHODS FOR THE PREPARATION THEREOF, AND USES THEREOF CHRM3, CHRNA1, CHRNA5 CHRNB4 19/4885CHRNA3 10/4885CHRNA7 6/4885

“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.