SCHEMBL10146629

SCHEMBL10146629

CC(C)Cn1cc(-c2ccc3c(c2)n(C)c(=O)n3CC(C)(C)C)cn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.59
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
PARG Q86W56 1/20 0.41
ACHE P22303 1/20 0.39
JAK2 O60674 1/20 0.39
USP30 Q70CQ3 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 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
SCHEMBL10146332 0.84 GRM2 (0.67) GRM2PRMT5WDR77PARG
SCHEMBL15168115 0.81 GRM2 (0.62) GRM2
SCHEMBL10145853 0.81 GRM2 (0.54) GRM2PARG
SCHEMBL10146333 0.77 GRM2 (0.70) GRM2PARG
SCHEMBL625845 0.76 GRM2 (0.68) GRM2PARG
SCHEMBL10146324 0.75 GRM2 (0.76) GRM2PARG
SCHEMBL14992573 0.75 GRM2 (0.71) GRM2PARG
SCHEMBL625814 0.75 GRM2 (1.00) GRM2PARG
SCHEMBL10146367 0.75 GRM2 (0.80) GRM2PARG
SCHEMBL10146311 0.74 GRM2 (0.78) GRM2PARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 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-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRIA2, GRM1 GRM2 1/4885PRMT5 1015/4885WDR77 2168/4885

“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.