SCHEMBL14857046

SCHEMBL14857046

Cn1c(=O)n(C)c2cc(-c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)ccc21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.74
PTAFR P25105 1/20 0.57
HTR2B P41595 1/20 0.57

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
SCHEMBL14855639 0.86 GRM2 (0.76) GRM2PTAFRHTR2B
SCHEMBL15168771 0.85 GRM2 (1.00) GRM2PTAFRHTR2B
SCHEMBL15168196 0.84 GRM2 (0.65) GRM2PTAFRHTR2B
SCHEMBL15167796 0.84 GRM2 (0.80) GRM2PTAFRHTR2B
SCHEMBL15167692 0.84 GRM2 (0.71) GRM2PTAFRHTR2B
SCHEMBL15168065 0.84 GRM2 (1.00) GRM2PTAFRHTR2B
SCHEMBL15168559 0.83 GRM2 (1.00) GRM2PTAFRHTR2B
SCHEMBL15167768 0.83 GRM2 (0.67) GRM2PTAFRHTR2B
SCHEMBL15180462 0.82 GRM2 (0.78) GRM2PTAFRHTR2B
SCHEMBL15168748 0.82 GRM2 (0.78) GRM2PTAFRHTR2B

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
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US claimed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US claimed
EP-2579717-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-04-17 EP claimed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 WO claimed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2011156245-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-12-15 WO 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-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRIA2 GRM2 1/4885PTAFR 3022/4885HTR2B 144/4885

“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.