SCHEMBL624925

SCHEMBL624925

Cc1cc(Oc2cccc(-c3ccc4c(c3)n(C)c(=O)n4CC3CC3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.46
P2RX3 P56373 1/20 0.43
PARG Q86W56 4/20 0.41
CRHR1 P34998 1/20 0.39
CRHR2 Q13324 1/20 0.39
GRIN1 Q05586 6/20 0.39
GRIN2B Q13224 6/20 0.39
TRIM24 O15164 1/20 0.39
PPARG P37231 1/20 0.38
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ICMT O60725 1/20 0.37

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
SCHEMBL10146006 0.90 PARG (0.40) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL626279 0.90 GRIN1 (0.42) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL10145997 0.89 PARG (0.42) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL627295 0.87 GRM2 (0.43) GRM2P2RX3PARGCRHR1CRHR2
SCHEMBL625527 0.87 GRM2 (0.51) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL625532 0.87 NPC1 (0.40) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL626879 0.85 GRIN1 (0.40) GRM2PARGCRHR1CRHR2GRIN1
SCHEMBL625690 0.85 GRM2 (0.43) GRM2P2RX3PARGCRHR1CRHR2
SCHEMBL10146387 0.85 PARG (0.41) GRM2P2RX3PARGCRHR1CRHR2
SCHEMBL10146338 0.84 GRIN1 (0.48) GRM2PARGCRHR1CRHR2GRIN1

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 1/4885P2RX3 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.