SCHEMBL171645

SCHEMBL171645

Cc1ccc(OCc2ccncc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
MAOA P21397 2/20 0.48
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 3/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
AR P10275 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
CYP27B1 O15528 2/20 0.42
CYP24A1 Q07973 2/20 0.42
NOX1 Q9Y5S8 1/20 0.41
SLC2A1 P11166 1/20 0.41
ACHE P22303 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL12743254 0.83 MRGPRX4 (0.68) MRGPRX4MAOASMN1; SMN2MAOBACHE
SCHEMBL17548012 0.83 MRGPRX4 (0.56) MRGPRX4MAOASMN1; SMN2MAOBACHE
SCHEMBL24746007 0.81 SMN1; SMN2 (0.46) MAOANOS3NOS1NOS2SMN1; SMN2
SCHEMBL12260777 0.81 SMN1; SMN2 (0.46) MAOANOS3NOS1NOS2SMN1; SMN2
SCHEMBL257670 0.80 MAOB (0.45) MRGPRX4MAOANOS3NOS1NOS2
SCHEMBL24301674 0.80 SMN1; SMN2 (0.43) MAOANOS3NOS1NOS2SMN1; SMN2
SCHEMBL17548021 0.79 MRGPRX4 (0.52) MRGPRX4MAOAMAOBACHE
SCHEMBL257785 0.79 MRGPRX4 (0.58) MRGPRX4MAOAMAOBACHEFFAR1
SCHEMBL23962397 0.78 SMN1; SMN2 (0.41) MAOANOS3NOS1NOS2SMN1; SMN2
SCHEMBL27300750 0.78 MRGPRX4 (0.57) MRGPRX4FFAR1PPARD

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 9 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
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 MRGPRX4 532/4885MAOA 1871/4885NOS3 2942/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MRGPRX4 533/4885MAOA 1828/4885NOS3 2936/4885

“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.