SCHEMBL104159

SCHEMBL104159

c1ccc(N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
MBTD1 Q05BQ5 1/20 0.73
LMNA P02545 1/20 0.62
GRIN2B Q13224 1/20 0.57
OPRL1 P41146 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
CXCR4 P61073 1/20 0.52
ALDH1A1 P00352 2/20 0.50
AOC3 Q16853 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL27795893 0.85 L3MBTL3 (0.92) L3MBTL3L3MBTL1MBTD1GRIN2BMAPT
SCHEMBL13033990 0.85 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1GRIN2BMAPT
SCHEMBL521012 0.84 AOC3 (0.55) L3MBTL3L3MBTL1MBTD1LMNAALDH1A1
SCHEMBL4612961 0.84 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1LMNAGRIN2B
SCHEMBL12879720 0.82 ALDH1A1 (0.53) L3MBTL3L3MBTL1MBTD1MAPTALDH1A1
SCHEMBL2634916 0.82 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1LMNAALDH1A1
SCHEMBL28139563 0.82 CYP3A4 (0.55) L3MBTL3L3MBTL1MBTD1HRH3CYP2C9
SCHEMBL12082369 0.82 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1MAPTGAA
SCHEMBL578207 0.82 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1HRH3AKR1C3
SCHEMBL77976 0.82 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1LMNAMAPT

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-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-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-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
CN-103012259-A 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors JANSSEN PHARMACEUTICA NV 2013-04-03 CN disclosed
CN-101400654-B 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors ORTHO MCNEIL JANSSEN PHARM 2013-01-02 CN disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 EP disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
CN-101400654-A 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors ORTHO MCNEIL JANSSEN PHARM (US) 2009-04-01 CN disclosed
EP-1994004-A2 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2008-11-26 EP disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN 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-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 L3MBTL3 4817/4885L3MBTL1 4739/4885MBTD1 1333/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 L3MBTL3 4816/4885L3MBTL1 4740/4885MBTD1 1341/4885

“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.