SCHEMBL10146387

SCHEMBL10146387

Cc1cccc(Oc2cccc(-c3ccc4c(c3)n(C)c(=O)n4CC3CC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.41
P2RX3 P56373 5/20 0.41
GRM2 Q14416 1/20 0.40
CRHR1 P34998 2/20 0.39
CRHR2 Q13324 1/20 0.39
PPARG P37231 1/20 0.38
GRIN1 Q05586 5/20 0.37
GRIN2B Q13224 5/20 0.37
FFAR4 Q5NUL3 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL10146009 0.90 P2RX3 (0.40) PARGP2RX3GRM2GRIN1GRIN2B
SCHEMBL625690 0.86 GRM2 (0.43) PARGP2RX3GRM2CRHR1CRHR2
SCHEMBL10145985 0.86 GRIN1 (0.40) PARGGRM2CRHR1CRHR2PPARG
SCHEMBL625532 0.85 NPC1 (0.40) PARGGRM2CRHR1CRHR2PPARG
SCHEMBL625527 0.85 GRM2 (0.51) PARGGRM2CRHR1CRHR2GRIN1
SCHEMBL624925 0.85 GRM2 (0.46) PARGP2RX3GRM2CRHR1CRHR2
SCHEMBL10145997 0.83 PARG (0.42) PARGGRM2CRHR1CRHR2GRIN1
SCHEMBL14992369 0.82 PPARG (0.41) PARGP2RX3GRM2CRHR1CRHR2
SCHEMBL10146338 0.82 GRIN1 (0.48) PARGGRM2CRHR1CRHR2GRIN1
SCHEMBL10146339 0.82 PARG (0.43) PARGGRM2CRHR1CRHR2GRIN1

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
US-20130143880-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-06 US 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
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 PARG 4723/4885P2RX3 338/4885GRM2 1/4885

“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.