SCHEMBL171697

SCHEMBL171697

CCc1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
CSNK2A1 P68400 3/20 0.46
KMO O15229 2/20 0.45
GRM2 Q14416 4/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL20204807 0.87 KDM4A (0.46) HPGDHTR2CHTR2B
SCHEMBL1391511 0.84 HPGD (0.51) HPGDCSNK2A1KMOSMN1; SMN2HTR2C
SCHEMBL3718825 0.84 HPGD (0.46) HPGDCSNK2A1KMOGRM2HTR2C
SCHEMBL22693816 0.82 PDE4B (0.43) HPGDSMN1; SMN2HTR2CHTR2B
SCHEMBL27339720 0.81 HPGD (0.47) HPGDCSNK2A1KMOGRM2HTR2C
SCHEMBL1439332 0.81 HSP90AA1 (0.47) HPGDSMN1; SMN2
SCHEMBL18377484 0.81 PPARD (0.43) HTR2CHTR2B
SCHEMBL745570 0.80 MAPT (0.49) HPGDKMOGRM2SMN1; SMN2HTR2C
SCHEMBL14804161 0.80 NPC1 (0.48) HPGD
SCHEMBL12503974 0.79 CSNK2A1 (0.54) HPGDCSNK2A1GLASMN1; SMN2

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-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
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

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 HPGD 1581/4885CSNK2A1 374/4885KMO 541/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 HPGD 1573/4885CSNK2A1 377/4885KMO 529/4885

“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.