SCHEMBL1830288

SCHEMBL1830288

CCCCn1ccc(Br)c(C#N)c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.51
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL171187 0.82 GRM2 (0.54) GRM2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL171281 0.81 GRM2 (0.64) GRM2
SCHEMBL1828147 0.79 LMNA (0.61) GRM2LMNA
SCHEMBL1829294 0.77 GRM2 (0.56) GRM2
SCHEMBL8171070 0.76 ALDH1A1 (0.42) GRM2ALDH1A1LMNAHTTKMT2A
SCHEMBL25331540 0.75 LMNA (0.59) GRM2ALDH1A1KDM4EMAPK1LMNA
SCHEMBL171863 0.73 GRM2 (0.46) GRM2ALDH1A1KDM4EMAPK1HTT
SCHEMBL1828571 0.73 GRM2 (0.54) GRM2
SCHEMBL3821765 0.72 GRM2 (0.44) GRM2ALDH1A1KDM4EMEN1LMNA
SCHEMBL27776834 0.72 GRM2 (0.56) GRM2ALDH1A1KDM4EMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
CN-101679349-A 3-cyano-4- (4-phenyl-piperidin-1-yl) -pyridin-2-one derivatives JANSSEN PHARMACEUTICA NV 2010-03-24 CN disclosed
US-20100063092-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-03-11 US disclosed
US-20100063092-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-03-11 US disclosed
US-20100063092-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-03-11 US disclosed
EP-2134708-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 GRM2 1/4885ALDH1A1 2839/4885KDM4E 1547/4885
US-20100063092-A1 3-CYANO-4-(4-PHENYL-PIPERIDIN-1-YL)-PYRIDIN-2-ONE DERIVATIVES GRM2, GRIK2, GRIN2C GRM2 1/4885ALDH1A1 2407/4885KDM4E 1175/4885
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES GRM2, GRM3, GRIK2 GRM2 1/4885ALDH1A1 2686/4885KDM4E 1648/4885

“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.