Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5354879

Cl.Cl.O=C(CCN1CCN(Cc2cccc(F)c2)CC1)c1ccsc1

nearest known ligand 0.54

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
HTR1A known ✓ P08908 4/20 0.54
ACHE known ✓ P22303 1/20 0.46
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.47
HTT P42858 1/20 0.44

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 SCHEMBL5364629 0.86 HTR1A (0.67) HTR1AKMT2AALDH1A1ACHE
Hydrochloric Acid SCHEMBL5358985 0.82 HTR1A (0.55) HTR1AKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5354901 0.80 CYP2D6 (0.58) HTR1AKMT2AMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL5369922 0.78 HTR1A (0.55) HTR1AKMT2AALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL5369818 0.78 HTR1A (0.55) HTR1AALDH1A1KDM4ECYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL9051658 0.76 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7922495 0.74 ALDH1A1 (0.61) HTR1AKMT2AALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7293384 0.73 HTR1A (0.66) HTR1AKMT2AALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5358851 0.73 HTR1A (0.66) HTR1AKMT2AALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7934844 0.73 ALDH1A1 (0.65) HTR1AKMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 US claimed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 US claimed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 US claimed
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 US disclosed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 US disclosed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 US disclosed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 US disclosed
US-6214994-B1 TREATMENT OF NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS, AND PREVENTING OR DECREASING PRODUCTION OF PHOSPHORYLATED PAIRED HELICAL FILAMENT (PHF) EPITOPES ASSOCIATED WITH ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION 2001-04-10 US disclosed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 US disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 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-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP HTR1A 1027/4885ACHE 3965/4885KMT2A 1537/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP HTR1A 1027/4885ACHE 3965/4885KMT2A 1537/4885

“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.