Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4987342

Cc1ncc(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)o1.Cl.Cl.Cl.O

nearest known ligand 0.51

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
KCNH2 known ✓ Q12809 15/20 0.51
CACNA1F known ✓ O60840 1/20 0.47
EGFR known ✓ P00533 1/20 0.47
ERBB2 known ✓ P04626 1/20 0.47
LCK known ✓ P06239 1/20 0.47
CHRM2 known ✓ P08172 1/20 0.47
CHRM4 known ✓ P08173 1/20 0.47
ADRB1 known ✓ P08588 1/20 0.47
HTR1A known ✓ P08908 1/20 0.47
CHRM5 known ✓ P08912 1/20 0.47
ADRA2A known ✓ P08913 1/20 0.47
GAA known ✓ P10253 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
ADRB3 known ✓ P13945 1/20 0.47
DRD2 known ✓ P14416 1/20 0.47
ADRA2B known ✓ P18089 1/20 0.47
ADRA2C known ✓ P18825 1/20 0.47
CHRM3 known ✓ P20309 1/20 0.47
DRD1 known ✓ P21728 1/20 0.47
DRD4 known ✓ P21917 1/20 0.47

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
Water SCHEMBL4983352 0.99 KCNH2 (0.51) KCNH2SSTR5MEN1MLNRCACNA1F
SCHEMBL14173615 0.98 SSTR5 (0.51) KCNH2SSTR5MEN1MLNRCACNA1F
Hydrochloric Acid SCHEMBL9303379 0.90 KCNH2 (0.48) KCNH2SSTR5MEN1MLNRCACNA1F
SCHEMBL9304456 0.89 KCNH2 (0.51) KCNH2SSTR5MEN1MLNRCACNA1F
Water SCHEMBL9303347 0.89 KCNH2 (0.48) KCNH2SSTR5MEN1MLNRCACNA1F
Water SCHEMBL9302746 0.89 KCNH2 (0.48) KCNH2SSTR5MEN1MLNRCACNA1F
Water SCHEMBL9303352 0.89 KCNH2 (0.48) KCNH2SSTR5MEN1MLNRCACNA1F
Hydrochloric Acid SCHEMBL6407289 0.89 KCNH2 (0.50) KCNH2SSTR5MEN1MLNRCACNA1F
SCHEMBL8162459 0.88 SSTR5 (0.48) KCNH2SSTR5MEN1MLNRCACNA1F
SCHEMBL9537073 0.87 SSTR5 (0.51) KCNH2SSTR5MEN1MLNRCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US claimed
US-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 US claimed
EP-1196408-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-09-15 EP claimed
EP-1418175-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-12 EP claimed
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 US disclosed
US-7173054-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20060154913-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V (BE) (BE) 2006-07-13 US disclosed
US-20050239771-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-27 US disclosed
US-20050234047-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-20 US disclosed
US-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 US disclosed
EP-1196408-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-09-15 EP disclosed
EP-1418175-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-12 EP 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 (4 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-20060154913-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1071/4885CACNA1F 4157/4885EGFR 1386/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1080/4885CACNA1F 4167/4885EGFR 1401/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1071/4885CACNA1F 4157/4885EGFR 1386/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 KCNH2 1331/4885CACNA1F 3951/4885EGFR 1477/4885

“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.