SCHEMBL14992157

SCHEMBL14992157

Cn1c(=O)n(CC2CC2)c2ccc(-c3cccc(Oc4ncccc4C#N)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.39
PARG Q86W56 3/20 0.37
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
GRM2 Q14416 3/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SSTR4 P31391 1/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
P2RX3 P56373 2/20 0.36
XDH P47989 1/20 0.35
BACE1 P56817 1/20 0.35
CRHR1 P34998 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL626879 0.88 GRIN1 (0.40) PARGGRM2FFAR4GRIN1GRIN2B
SCHEMBL10146010 0.87 PARG (0.39) PARGGRM2GRIN1GRIN2BBACE1
SCHEMBL14992927 0.87 PPARG (0.41) PARGGRM2GRIN1GRIN2BBACE1
SCHEMBL626738 0.86 GRM2 (0.54) BCL6PARGGRM2SSTR4GRIN1
SCHEMBL14992323 0.86 GRM2 (0.41) PARGGRM2GRIN1GRIN2BP2RX3
SCHEMBL627228 0.84 PARG (0.37) PARGTNKSTNKS2GRM2GRIN1
SCHEMBL627295 0.84 GRM2 (0.43) PARGGRM2GRIN1GRIN2BP2RX3
SCHEMBL626976 0.83 PARG (0.41) PARGGRM2P2RX3
SCHEMBL10145997 0.82 PARG (0.42) PARGGRM2GRIN1GRIN2BCRHR1
SCHEMBL626276 0.82 PARG (0.41) PARGGRM2P2RX3

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
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 EP claimed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US claimed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US claimed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993779-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US disclosed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 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 (1 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-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRIA2, GRM1 BCL6 4450/4885PARG 4723/4885TNKS 4114/4885

“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.