Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6435975

CCOc1ccccc1N1CCN(CCC(C(=O)C2CCCCC2)c2ccccc2)CC1.Cl

nearest known ligand 0.59

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
HTR1A known ✓ P08908 6/20 0.59
HTR2B known ✓ P41595 2/20 0.59
HTR1D known ✓ P28221 1/20 0.59
HTR7 known ✓ P34969 2/20 0.51
ADRA1A known ✓ P35348 4/20 0.48
DRD2 known ✓ P14416 2/20 0.48
DRD3 known ✓ P35462 2/20 0.48
DRD4 known ✓ P21917 4/20 0.47
ADRA1D known ✓ P25100 3/20 0.47
ADRA1B known ✓ P35368 3/20 0.47
HTR1B known ✓ P28222 1/20 0.46
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46

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
Hydrochloric Acid SCHEMBL5376989 1.00 HTR1A (0.59) HTR1AHTR2BHTR1DHTR7MEN1
SCHEMBL5371883 0.99 HTR1A (0.60) HTR1AHTR2BHTR1DHTR7MEN1
Hydrochloric Acid SCHEMBL6435545 0.90 HTR1A (0.72) HTR1AHTR2BHTR1DADRA1ADRD2
Hydrochloric Acid SCHEMBL5391694 0.90 HTR1A (0.72) HTR1AHTR2BHTR1DADRA1ADRD2
Hydrochloric Acid SCHEMBL6434436 0.89 HTR1A (0.70) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5372555 0.89 HTR1A (0.73) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5389828 0.89 HTR1A (0.73) HTR1AHTR2BHTR1DADRA1ADRD2
Hydrochloric Acid SCHEMBL5375310 0.89 HTR1A (0.70) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5391681 0.88 HTR1A (0.71) HTR1AHTR2BHTR1DADRA1ADRD2
Oxalic Acid SCHEMBL5377503 0.88 HTR1A (0.71) HTR1AHTR2BHTR1DADRA1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924205-B1 Arylpiperazines having activity at the serotonin 1a receptor LILLY CO ELI (US) 2005-05-25 EP claimed
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety KOHLMAN DANIEL TIMOTHY (US) 2003-01-09 US claimed
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity GODFREY ALEXANDER GLENN (US) 2001-06-14 US claimed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 WO claimed
EP-0924205-A1 Arylpiperazines having activity at the serotonin 1a receptor ELI LILLY AND COMPANY (US) 1999-06-23 EP claimed

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-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity HTR1A, HTR2C, HTR3B HTR1A 1/4885HTR2B 15/4885HTR1D 11/4885
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety HTR1A, HTR1B, HTR3A HTR1A 1/4885HTR2B 12/4885HTR1D 5/4885

“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.