Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4198658

Cl.O=C1c2ccccc2CC1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
ACHE known ✓ P22303 6/20 0.69
BCHE known ✓ P06276 3/20 0.69
CACNA1F known ✓ O60840 1/20 0.67
PDE5A known ✓ O76074 1/20 0.67
CHRM2 known ✓ P08172 1/20 0.67
CHRM5 known ✓ P08912 1/20 0.67
ADRA2A known ✓ P08913 1/20 0.67
CHRM1 known ✓ P11229 1/20 0.67
ADRA2C known ✓ P18825 1/20 0.67
DRD4 known ✓ P21917 1/20 0.67
SLC6A2 known ✓ P23975 1/20 0.67
MAOB known ✓ P27338 1/20 0.67
AGTR1 known ✓ P30556 1/20 0.67
ADRA1A known ✓ P35348 1/20 0.67
HTR2B known ✓ P41595 1/20 0.67
CACNA1D known ✓ Q01668 1/20 0.67
SLC6A3 known ✓ Q01959 1/20 0.67
CHRNE known ✓ Q04844 1/20 0.67
PDE4D known ✓ Q08499 1/20 0.67
KCNH2 known ✓ Q12809 1/20 0.67

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
SCHEMBL4196384 0.99 ACHE (0.70) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL13854687 0.90 ACHE (0.67) ACHEBCHEKDM4EFAAHABCC4
Hydrochloric Acid SCHEMBL7836184 0.89 SIGMAR1 (0.63) ACHESIGMAR1
SCHEMBL7829371 0.88 SIGMAR1 (0.65) ACHESIGMAR1
Hydrochloric Acid SCHEMBL4203132 0.84 BCHE (0.76) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL8077491 0.83 BCHE (0.72) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL8229169 0.83 BCHE (0.75) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL11913989 0.83 BCHE (0.75) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL24390900 0.82 BCHE (0.74) ACHEBCHEKDM4EFAAHABCC4
SCHEMBL4838247 0.82 BCHE (0.76) ACHEBCHEKDM4EFAAHABCC4

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
CN-107709326-A Reduce the P TAU of stress-induced Triazolopyridine and triazolo pyrimidine 巴克老龄问题研究所 2018-02-16 CN disclosed
US-20090137629-A1 Sigma receptor binding agent containing indanone derivative IIMURA YOICHI 2009-05-28 US disclosed
US-20050107432-A1 Sigma receptor binder containing indanone derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-19 US disclosed
EP-1468684-A1 SIGMA RECEPTOR BINDER CONTAINING INDANONE DERIVATIVE Eisai Co., Ltd. (JP) 2004-10-20 EP disclosed
US-6492522-B1 OPTICAL ISOMERS AND SALTS WITH 4-PYRIDINECARBOXALDEHYDE IN THE PRESENCE OF BASE TO GIVE A COMPOUND OF THE FORMULA REACTING THE COMPOUND OBTAINED IN STEP B) ABOVE OR A SALT THEREOF WITH A COMPOUND OF FORMULA R.SUP.10 X, WHEREIN R.SUP.10, FINETECH LABORATORIES LTD. (IL) 2002-12-10 US disclosed
EP-1129073-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS Finetech Ltd (IL) 2001-09-05 EP disclosed
WO-2000009483-A2 PROCESS AND INTERMEDIATES FOR PRODUCTION OF DONEPEZIL AND RELATED COMPOUNDS FINETECH LTD. (IL) 2000-02-24 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 (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-20090137629-A1 Sigma receptor binding agent containing indanone derivative SIGMAR1, TMEM97, OPRK1 ACHE 608/4885BCHE 1667/4885CACNA1F 1576/4885
US-20050107432-A1 Sigma receptor binder containing indanone derivative SIGMAR1, OPRK1, TMEM97 ACHE 2667/4885BCHE 3026/4885CACNA1F 1932/4885

“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.