SCHEMBL10145985

SCHEMBL10145985

Cc1ccc(Oc2cccc(-c3ccc4c(c3)n(C)c(=O)n4CC3CC3)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.40
GRIN2B Q13224 10/20 0.40
PPARG P37231 1/20 0.40
CRHR1 P34998 1/20 0.40
CRHR2 Q13324 1/20 0.40
PARG Q86W56 3/20 0.40
GRM2 Q14416 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 3/20 0.38
PRKDC P78527 2/20 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
SCHEMBL14992369 0.91 PPARG (0.41) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL625532 0.88 NPC1 (0.40) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL625690 0.88 GRM2 (0.43) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL10146387 0.86 PARG (0.41) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL625527 0.84 GRM2 (0.51) GRIN1GRIN2BCRHR1CRHR2PARG
SCHEMBL624925 0.84 GRM2 (0.46) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL10146009 0.83 P2RX3 (0.40) GRIN1GRIN2BPARGGRM2
SCHEMBL10145997 0.82 PARG (0.42) GRIN1GRIN2BCRHR1CRHR2PARG
SCHEMBL626879 0.82 GRIN1 (0.40) GRIN1GRIN2BPPARGCRHR1CRHR2
SCHEMBL10146338 0.81 GRIN1 (0.48) GRIN1GRIN2BCRHR1CRHR2PARG

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 GRIN1 13/4885GRIN2B 18/4885PPARG 163/4885

“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.