SCHEMBL626976

SCHEMBL626976

Cn1c(=O)n(CC2CC2)c2ccc(-c3cccc(Oc4cccc(C#N)c4)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 5/20 0.41
GRM2 Q14416 2/20 0.41
MCHR1 Q99705 2/20 0.40
BRD4 O60885 1/20 0.39
TRIM24 O15164 2/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2C P28335 1/20 0.36
NSD2 O96028 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
AS3MT Q9HBK9 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL626276 0.93 PARG (0.41) PARGGRM2TRIM24P2RX3SLC6A2
SCHEMBL627295 0.88 GRM2 (0.43) PARGGRM2TRIM24P2RX3
SCHEMBL625527 0.88 GRM2 (0.51) PARGGRM2TRIM24
SCHEMBL14992323 0.86 GRM2 (0.41) PARGGRM2TRIM24P2RX3PRMT5
SCHEMBL10146339 0.85 PARG (0.43) PARGGRM2TRIM24
SCHEMBL10146338 0.85 GRIN1 (0.48) PARGGRM2BRD4TRIM24
SCHEMBL10146345 0.84 PARG (0.42) PARGGRM2TRIM24MAPTP2RX3
SCHEMBL10145997 0.84 PARG (0.42) PARGGRM2TRIM24
SCHEMBL14992157 0.83 BCL6 (0.39) PARGGRM2P2RX3
SCHEMBL627228 0.83 PARG (0.37) 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 12 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
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP claimed
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US claimed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO claimed
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 EP 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-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 PARG 4723/4885GRM2 1/4885MCHR1 1008/4885

“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.