SCHEMBL1025675

SCHEMBL1025675

CCn1nc(C)cc1CC#N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 4/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
GLS O94925 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP11B2 P19099 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL3152782 0.82 GAA (0.41) GAAALDH1A1KDM4EHTTTSHR
SCHEMBL15747082 0.80 KDM4E (0.38) GAAALDH1A1KDM4EHTTTSHR
SCHEMBL9608890 0.78 GAA (0.44) GAAALDH1A1KDM4EGLAMAPT
SCHEMBL4207109 0.77 KCNH2 (0.38) GAAALDH1A1KDM4EHTTTSHR
SCHEMBL21768349 0.76 GAA (0.43) GAAALDH1A1KDM4EHTTGLA
SCHEMBL25825665 0.76 GAA (0.44) GAAALDH1A1KDM4ETSHRGLA
SCHEMBL15746137 0.75 GAA (0.42) GAAALDH1A1KDM4EGLAMAPT
SCHEMBL27111156 0.75 GAA (0.42) GAAALDH1A1KDM4EGLAMAPT
SCHEMBL3147328 0.72 GAA (0.40) GAAALDH1A1KDM4EGLAMAPT
SCHEMBL1030394 0.72 GAA (0.44) GAAALDH1A1KDM4EGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115143-B2 Substituted indole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
EP-2013209-B1 PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
EP-2013209-B1 PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-7834028-B2 insomnia or eating disorders such as anorexia; 2-{1-Ethyl-4-[2-(2-fluoro-5-trifluoromethyl-phenyl)-ethyl]-3-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide for example ACTELION PHARMACEUTICALS LTD. (CH) 2010-11-16 US disclosed
US-7834028-B2 insomnia or eating disorders such as anorexia; 2-{1-Ethyl-4-[2-(2-fluoro-5-trifluoromethyl-phenyl)-ethyl]-3-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide for example ACTELION PHARMACEUTICALS LTD. (CH) 2010-11-16 US disclosed
US-7834028-B2 insomnia or eating disorders such as anorexia; 2-{1-Ethyl-4-[2-(2-fluoro-5-trifluoromethyl-phenyl)-ethyl]-3-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide for example ACTELION PHARMACEUTICALS LTD. (CH) 2010-11-16 US disclosed
CN-101432285-A Pyrazolo-tetrahydro pyridine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-13 CN disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 US disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 US disclosed
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-16 US disclosed
EP-2013209-A2 PYRAZOLO-TETRAHYDROPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-01-14 EP disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 WO disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 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-20140148450-A1 NOVEL SUBSTITUTED INDOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP GAA 326/4885ALDH1A1 1525/4885KDM4E 2161/4885
US-20090099228-A1 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR GAA 4476/4885ALDH1A1 3242/4885KDM4E 1594/4885

“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.