Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1177322

CC(C)N1CCN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cn3)cc2)CC1.Cl.Cl

nearest known ligand 0.56

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 13)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 11/20 0.48
SLC6A4 known ✓ P31645 1/20 0.47
SCN9A known ✓ Q15858 1/20 0.45
EPHX2 P34913 3/20 0.56
MAPK10 P53779 2/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
BDKRB1 P46663 1/20 0.47
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45

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
SCHEMBL13636334 0.99 EPHX2 (0.57) EPHX2MAPK10MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1177307 0.85 EPHX2 (0.53) EPHX2MAPK10HRH3SLC6A4
Hydrochloric Acid SCHEMBL1177765 0.85 CHRNA7 (0.55) MAPK10HRH3BDKRB1SLC6A4
SCHEMBL13636465 0.84 EPHX2 (0.53) EPHX2MAPK10HRH3SLC6A4
SCHEMBL13636419 0.84 CHRNA7 (0.56) MAPK10HRH3BDKRB1SLC6A4
SCHEMBL1177142 0.83 EPHX2 (0.72) EPHX2MAPK10HRH3SLC6A4
Hydrochloric Acid SCHEMBL1177061 0.80 EPHX2 (0.53) EPHX2MAPK10HRH3SCN9A
SCHEMBL1177760 0.79 HRH3 (0.58) MAPK10CYP1A2CYP2C9CYP2C19HRH3
SCHEMBL14088954 0.79 EPHX2 (0.54) EPHX2MAPK10HRH3SCN9A
SCHEMBL13503647 0.78 EPHX2 (0.81) EPHX2MEN1KMT2AHRH3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP claimed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US claimed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP claimed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US claimed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
US-8680273-B2 Process for the preparation of piperazinyl and diazepanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2404911-A1 Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives Janssen Pharmaceutica NV (BE) 2012-01-11 EP disclosed
US-20110105752-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-7893257-B2 Reacting 4-Morpholin-4-ylmethyl-benzoic acid with 1-cyclopropyl-piperazine dihydrochloride producing (4-Cyclopropyl-piperazin-1-yl)-(4-morpholin-4-ylmethyl-phenyl)-methanone; sleep disorders, attention deficit hyperactivity disorders (ADHD), learning and memory disorders JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-08-05 US disclosed
US-7728129-B2 Processes for the preparation of piperazinyl and diazapanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-06-01 US disclosed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP disclosed
EP-1951700-A2 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
US-20080171870-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-17 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
US-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
WO-2007053427-A2 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP disclosed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US disclosed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 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-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 HRH3 4/4885SLC6A4 2044/4885SCN9A 1026/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH3 3/4885SLC6A4 1821/4885SCN9A 342/4885
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 HRH3 4/4885SLC6A4 2044/4885SCN9A 1026/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 HRH3 3/4885SLC6A4 1821/4885SCN9A 342/4885
US-20080171870-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885SLC6A4 1278/4885SCN9A 3251/4885
US-20110105752-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885SLC6A4 1278/4885SCN9A 3251/4885

“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.