SCHEMBL10146338

SCHEMBL10146338

Cn1c(=O)n(CC2CC2)c2ccc(-c3cccc(Oc4cccc(Cl)c4)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
CRHR1 P34998 3/20 0.43
PARG Q86W56 5/20 0.43
GRM2 Q14416 1/20 0.43
CRHR2 Q13324 1/20 0.41
PGR P06401 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TRIM24 O15164 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
ICMT O60725 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 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
SCHEMBL625527 0.90 GRM2 (0.51) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL10146339 0.88 PARG (0.43) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL626279 0.87 GRIN1 (0.42) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL10145942 0.87 NPC1 (0.43) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL10145997 0.87 PARG (0.42) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL10146345 0.87 PARG (0.42) GRIN1GRIN2BPARGGRM2TRIM24
SCHEMBL626976 0.85 PARG (0.41) PARGGRM2TRIM24BRD4
SCHEMBL626276 0.84 PARG (0.41) PARGGRM2TRIM24SLC6A4CREBBP
SCHEMBL624925 0.84 GRM2 (0.46) GRIN1GRIN2BCRHR1PARGGRM2
SCHEMBL14992227 0.83 CRHR1 (0.45) GRIN1GRIN2BCRHR1PARGGRM2

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 18/4885CRHR1 326/4885

“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.