Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1299566

COc1cc(CCN2CCN(CCCc3ccccc3)CC2)cc(Br)c1OC.Cl.Cl

nearest known ligand 0.69

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 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 5/20 0.67
KCNH2 known ✓ Q12809 1/20 0.55
EBP Q15125 2/20 0.67
TMEM97 Q5BJF2 1/20 0.67
EBPL Q9BY08 1/20 0.61

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 SCHEMBL1298455 0.92 SIGMAR1 (0.74) SIGMAR1EBPTMEM97EBPLKCNH2
Hydrochloric Acid SCHEMBL1299261 0.91 SIGMAR1 (0.58) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1299244 0.91 SIGMAR1 (0.61) SIGMAR1EBPTMEM97EBPLKCNH2
SCHEMBL1298962 0.90 SIGMAR1 (0.76) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1298742 0.87 SIGMAR1 (0.65) SIGMAR1EBPTMEM97EBPLKCNH2
Hydrochloric Acid SCHEMBL1299415 0.86 EBPL (0.68) SIGMAR1EBPTMEM97EBPLKCNH2
Hydrochloric Acid SCHEMBL1299551 0.86 SIGMAR1 (0.67) SIGMAR1EBPTMEM97EBPLKCNH2
Hydrochloric Acid SCHEMBL1298241 0.83 SIGMAR1 (0.73) SIGMAR1EBPTMEM97EBPLKCNH2
[11C]Sa4503 SCHEMBL1299046 0.82 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL8088187 0.82 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL

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-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
CN-101263127-A Piperazine derivatives MS SCIENCE CORP (JP) 2008-09-10 CN disclosed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 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 (3 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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885KCNH2 607/4885EBP 1084/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885KCNH2 607/4885EBP 1084/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 SIGMAR1 1/4885KCNH2 551/4885EBP 1385/4885

“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.