SCHEMBL171231

SCHEMBL171231

COc1cc(C)ccc1OCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MRGPRX1 Q96LB2 1/20 0.54
HSD17B10 Q99714 1/20 0.52
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
LRRK2 Q5S007 1/20 0.50
PTAFR P25105 1/20 0.47
ACHE P22303 1/20 0.47
SLC6A4 P31645 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PDE10A Q9Y233 1/20 0.47
FLT1 P17948 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
CSF1R P07333 1/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL17858634 0.86 MRGPRX4 (0.55) LMNAHTR1ADRD2LRRK2SLC6A4
SCHEMBL30354786 0.84 LMNA (0.59) LMNAMRGPRX1HSD17B10HTR1ADRD2
SCHEMBL2038082 0.83 LRRK2 (0.50) LMNAMRGPRX1HSD17B10HTR1ADRD2
SCHEMBL169718 0.82 PLK1 (0.58) LMNAHSD17B10ACHENPSR1L3MBTL1
SCHEMBL171847 0.82 NPC1 (0.58) HTR1AACHENPSR1L3MBTL1USP2
SCHEMBL29956153 0.81 LMNA (0.56) LMNAMRGPRX1HSD17B10HTR1ADRD2
SCHEMBL1224584 0.81 ALDH1A1 (0.66) LMNAMRGPRX1HSD17B10NPSR1ALDH1A1
SCHEMBL29957121 0.81 LRRK2 (0.51) LMNAMRGPRX1HSD17B10HTR1ADRD2
SCHEMBL13929791 0.80 MAOB (0.59) HTR1AACHENPSR1L3MBTL1USP2
SCHEMBL29538704 0.80 LRRK2 (0.50) LMNAHSD17B10HTR1ADRD2LRRK2

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 LMNA 3852/4885MRGPRX1 324/4885HSD17B10 1824/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 LMNA 3831/4885MRGPRX1 324/4885HSD17B10 1813/4885

“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.