SCHEMBL171335

SCHEMBL171335

CN1CCC2Oc3ccccc3OC2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL10975272 0.86 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10975275 0.86 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10759336 0.86 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL12835652 0.80 SIGMAR1 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL9910980 0.80 SIGMAR1 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL9963162 0.77 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL16731499 0.73 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL10977324 0.71 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10977321 0.71 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2
SCHEMBL10977318 0.71 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRM2

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 10 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-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-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
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
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
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

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 CHRNB4 104/4885CHRNA3 37/4885CHRNB2 55/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CHRNB4 102/4885CHRNA3 37/4885CHRNB2 55/4885

“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.