Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1114457

COc1ccccc1N1CCN(CCCCOc2ccc(CN(C)C)cc2)CC1.Cl.Cl

nearest known ligand 0.74

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.67
SLC6A4 known ✓ P31645 2/20 0.67
DRD2 known ✓ P14416 5/20 0.66
DRD3 known ✓ P35462 4/20 0.66
ADRA1A known ✓ P35348 1/20 0.66
HTR1A known ✓ P08908 3/20 0.62
DRD4 known ✓ P21917 2/20 0.60
DRD1 known ✓ P21728 1/20 0.60
HTR2A known ✓ P28223 1/20 0.60
LMNA P02545 2/20 0.74
ALDH1A1 P00352 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MAPT P10636 1/20 0.71
NLRP1 Q9C000 1/20 0.71
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL12403673 0.99 LMNA (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114418 0.88 HTR1A (0.74) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL16027144 0.86 LMNA (0.56) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114667 0.86 HRH3 (0.59) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114497 0.84 DRD2 (0.72) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114265 0.83 DRD2 (0.71) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
Hydrochloric Acid SCHEMBL11846622 0.82 LMNA (0.93) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL246381 0.81 LMNA (0.76) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL2002593 0.81 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTNLRP1
SCHEMBL1114854 0.81 LMNA (0.69) LMNAALDH1A1SMN1; SMN2MAPTNLRP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279179-B1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2014-09-17 EP claimed
US-8772299-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-07-08 US claimed
US-7985752-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK HOLDINGS CO., LTD. (KR) 2011-07-26 US claimed
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-05-19 US claimed
US-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-12-03 US claimed
EP-2279179-B1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2014-09-17 EP disclosed
US-8772299-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-07-08 US disclosed
US-7985752-B2 Phenyl piperazine compounds, pharmaceutical composition including the same and use thereof SK HOLDINGS CO., LTD. (KR) 2011-07-26 US disclosed
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-05-19 US disclosed
EP-2279179-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK Holdings Co., Ltd. (KR) 2011-02-02 EP disclosed
US-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-12-03 US disclosed
WO-2009145591-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 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-20090298831-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF HTR5A, HTR1A, HTR2A SLC6A2 124/4885SLC6A4 45/4885DRD2 62/4885
US-20110118264-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AND USE THEREOF HTR5A, HTR1A, HTR2A SLC6A2 124/4885SLC6A4 42/4885DRD2 60/4885

“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.