Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3211216

Cl.Cl.NCC1CCN(CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.62

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
CHRNB4 known ✓ P30926 1/20 0.56
CHRNA3 known ✓ P32297 1/20 0.56
DRD2 known ✓ P14416 1/20 0.53
DRD4 known ✓ P21917 1/20 0.53
DRD3 known ✓ P35462 1/20 0.53
NPC1 O15118 2/20 0.62
TP53 P04637 1/20 0.62
RAB9A P51151 1/20 0.62
HTT P42858 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ME2 P23368 1/20 0.53

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
SCHEMBL3224693 0.99 NPC1 (0.63) NPC1TP53RAB9AHTTRECQL
SCHEMBL5660090 0.87 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2019709 0.86 HTT (0.64) NPC1TP53RAB9AHTTRECQL
SCHEMBL16900136 0.85 NPSR1 (0.67) NPC1TP53RAB9AHTTRECQL
Hydrochloric Acid SCHEMBL3210452 0.85 ALDH1A1 (0.70) NPC1RAB9AHTTALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL15558678 0.84 NPSR1 (0.65) NPC1TP53RAB9AHTTRECQL
SCHEMBL3211268 0.84 ALDH1A1 (0.69) NPC1RAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL28599359 0.83 KDM4E (0.71) NPC1HTTRECQLNPSR1ALDH1A1
SCHEMBL6893687 0.82 ALDH1A1 (0.79) NPC1TP53RAB9ANPSR1ALDH1A1
SCHEMBL3207988 0.82 ALDH1A1 (0.65) RAB9AALDH1A1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519139-B2 Indazolamides with analgesic activity Aziende Chimeche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2013-08-27 US disclosed
EP-1594859-B1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY ACRAF (IT) 2010-06-23 EP disclosed
US-20100048907-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO S.P.A. (IT) 2010-02-25 US disclosed
US-7632849-B2 N3-((1-(2-Oxo-2-(phenylamino)ethyl)-4-piperidyl)methyl)- 1-(1-methylethyl)-1H-indazole-3-carboxamide; antiarthritic agents; rheumatic diseases; osteoarthritis; fibromyaleia;anticarcinogenic agents, pain; neuropathic pain; immunoincompetance; trauma; antiischemic agents; multiple sclerosis AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-12-15 US disclosed
US-20060052417-A1 Indazolamides with analgesic activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2006-03-09 US disclosed
EP-1594859-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2005-11-16 EP disclosed
WO-2004074275-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2004-09-02 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 (2 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-20100048907-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY TRPV1, CA2, TRPV2 CHRNB4 400/4885CHRNA3 215/4885DRD2 1860/4885
US-20060052417-A1 Indazolamides with analgesic activity P2RX7, P2RX3, P2RX1 CHRNB4 997/4885CHRNA3 254/4885DRD2 679/4885

“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.