Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2978560

CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2cc(F)ccc21.Cl

nearest known ligand 0.87

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 8)

geneUniProtsupporting neighboursconfidence
HTR7 known ✓ P34969 20/20 0.87
HTR1A known ✓ P08908 1/20 0.87
DRD2 known ✓ P14416 1/20 0.87
DRD1 known ✓ P21728 1/20 0.87
HTR2A known ✓ P28223 1/20 0.87
HTR2C known ✓ P28335 1/20 0.87
ADRA1A known ✓ P35348 1/20 0.87
HTR6 known ✓ P50406 1/20 0.87

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
SCHEMBL28765049 0.99 HTR7 (0.89) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2720000 0.93 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2984643 0.92 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL2982375 0.90 HTR7 (0.83) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2981139 0.89 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL27682347 0.89 HTR7 (0.85) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2990951 0.88 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2984880 0.87 HTR7 (0.87) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL2975652 0.86 HTR7 (1.00) HTR7HTR1ADRD2DRD1HTR2A
SCHEMBL4015368 0.86 HTR7 (0.89) HTR7HTR1ADRD2DRD1HTR2A

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
US-7786129-B2 Piperazine derivatives of dialkyl oxindoles EGIS GYOGYSZERGYAR NYRT (HU) 2010-08-31 US disclosed
EP-1776339-B1 3-(((4-PHENYL)-PIPERAZIN-1-YL)-ALKYL)-3-ALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2009-07-01 EP disclosed
US-20070232619-A1 Piperazine Derivatives of Dialkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2007-10-04 US disclosed
EP-1776339-A2 3-(((4-PHENYL)-PIPERAZIN-1-YL)-ALKYL)-3-ALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS Gyógyszergyár Nyrt (HU) 2007-04-25 EP disclosed
WO-2005109987-A2 3-(((4-PHENYL)-PIPERAZINE-1-YL)-ALKYL)-3-ALKYL-1, 3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-24 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 (1 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-20070232619-A1 Piperazine Derivatives of Dialkyl Oxindoles TPH2, DRD3, CNR2 HTR7 35/4885HTR1A 102/4885DRD2 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.