SCHEMBL14993149

SCHEMBL14993149

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccnc(Oc4ccc(C#N)cc4)c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.52
P2RX3 P56373 6/20 0.42
PARG Q86W56 1/20 0.37
KDM1A O60341 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL10146661 0.87 GRM2 (0.55) GRM2P2RX3PARG
SCHEMBL12505191 0.86 GRM2 (0.44) GRM2P2RX3KDM1A
SCHEMBL12505080 0.84 GRM2 (0.45) GRM2P2RX3
SCHEMBL14992497 0.84 GRM2 (0.72) GRM2PARGSCN7A
SCHEMBL626728 0.83 GRM2 (0.60) GRM2PARGSCN7ASCN5ASCN2A
SCHEMBL628221 0.83 GRM2 (0.58) GRM2
SCHEMBL14992134 0.83 GRM2 (0.61) GRM2PARG
SCHEMBL10146325 0.83 GRM2 (0.64) GRM2PARG
SCHEMBL627447 0.83 GRM2 (0.55) GRM2P2RX3PARGKDM1A
SCHEMBL626799 0.81 GRM2 (0.49) GRM2P2RX3PARG

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
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
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 GRM2 1/4885P2RX3 338/4885PARG 4723/4885

“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.