SCHEMBL627147

SCHEMBL627147

Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(Oc4ccc(C#N)cn4)ccc3C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.46
P2RX3 P56373 6/20 0.41
HRH3 Q9Y5N1 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE4B Q07343 1/20 0.34
PARG Q86W56 1/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL12505080 0.88 GRM2 (0.45) GRM2P2RX3
SCHEMBL15168590 0.85 GRM2 (0.62) GRM2P2RX3
SCHEMBL14993304 0.84 GRM2 (0.48) GRM2P2RX3
SCHEMBL627517 0.83 GRM2 (0.47) GRM2P2RX3PARG
SCHEMBL625809 0.83 GRM2 (0.67) GRM2P2RX3GRIN1GRIN2BPARG
SCHEMBL626918 0.82 GRM2 (0.48) GRM2P2RX3PARG
SCHEMBL14992065 0.82 GRM2 (0.46) GRM2PARGSCN9A
SCHEMBL10146647 0.79 GRM2 (0.48) GRM2PARGPIK3CD
SCHEMBL14992263 0.79 GRM2 (0.62) GRM2PARG
SCHEMBL14993149 0.79 GRM2 (0.52) GRM2P2RX3GRIN1GRIN2BPARG

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 11 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
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 338/4885HRH3 321/4885

“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.