SCHEMBL171233

SCHEMBL171233

Cc1ccc(NC2CCOCC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.46
BACE2 Q9Y5Z0 5/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIM1 P11309 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
OPRL1 P41146 1/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL15830060 0.87 BACE1 (0.48) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL21727343 0.85 PTGS1 (0.51) BACE1BACE2PTGS1PTGS2NPC1
SCHEMBL17308602 0.81 RAPGEF4 (0.46) MAPK1NPC1RAB9ARAPGEF4ALDH1A1
SCHEMBL21297271 0.80 BACE1 (0.43) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL29953228 0.80 BACE1 (0.43) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL19287728 0.80 BACE1 (0.46) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL21297220 0.78 MAPK1 (0.45) BACE1BACE2PTGS2MAPK1PIM1
SCHEMBL1343010 0.78 MAPK1 (0.43) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL18466056 0.77 BACE1 (0.46) BACE1BACE2PTGS1PTGS2MAPK1
SCHEMBL13634634 0.76 PRMT5 (0.48) PTGS1PTGS2MAPK1PRMT5WDR77

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 BACE1 1307/4885BACE2 1746/4885PTGS1 562/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 BACE1 1277/4885BACE2 1712/4885PTGS1 560/4885

“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.