SCHEMBL2473095

SCHEMBL2473095

NC1(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
PNMT P11086 2/20 0.53
AKT2 P31751 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 3/20 0.48
CYP3A4 P08684 2/20 0.48
AGXT P21549 2/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
AOC3 Q16853 1/20 0.43
HSD11B1 P28845 1/20 0.42

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 SCHEMBL21879608 0.98 MAOB (0.57) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL9667972 0.93 SLC6A4 (0.50) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL5218251 0.93 PNMT (0.50) MAOAMAOBPNMTAKT2TAAR1
Formic Acid SCHEMBL6207884 0.90 MAOA (0.49) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL12585406 0.88 AKT2 (0.49) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL6430626 0.87 AKT2 (0.46) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL208131 0.82 AOC3 (0.43) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL3708683 0.78 MAPT (0.43) MAOAMAOBPNMTAKT2TAAR1
SCHEMBL25209309 0.77 PNMT (0.48) PNMTTAAR1IDO1CYP3A4AGXT
SCHEMBL1822958 0.77 MAOA (0.59) MAOAMAOBTAAR1IDO1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (7 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 MAOA 1573/4885MAOB 1367/4885PNMT 1233/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 MAOA 2891/4885MAOB 2563/4885PNMT 2010/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE MAOA 994/4885MAOB 579/4885PNMT 2343/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 MAOA 125/4885MAOB 209/4885PNMT 6/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 MAOA 2891/4885MAOB 2563/4885PNMT 2010/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R MAOA 2400/4885MAOB 3370/4885PNMT 419/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 MAOA 470/4885MAOB 357/4885PNMT 302/4885

“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.