SCHEMBL627348

SCHEMBL627348

CCCn1c(=O)n(C)c2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
PPARG P37231 2/20 0.44
CYP1A2 P05177 1/20 0.44
PARG Q86W56 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
BCL6 P41182 1/20 0.39
MAPK14 Q16539 1/20 0.39
NR3C1 P04150 1/20 0.38
ESR2 Q92731 1/20 0.38
DPP4 P27487 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL14992269 0.93 GRM2 (0.44) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992820 0.91 PGR (0.44) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL628044 0.89 CYP1A2 (0.46) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992604 0.89 GRM2 (0.45) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992365 0.87 GRM2 (0.52) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992945 0.87 GRM2 (0.46) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992665 0.86 GRM2 (0.66) GRM2CYP1A2PARG
SCHEMBL627494 0.86 GRM2 (0.44) GRM2PPARGCYP1A2PARGGRIA2
SCHEMBL14992133 0.86 MAPK14 (0.50) GRM2CYP1A2GRIA2GRIA4BCL6
SCHEMBL14992698 0.84 PARG (0.45) GRM2CYP1A2PARGDPP4

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 GRM2 1/4885PPARG 163/4885CYP1A2 3682/4885

“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.