SCHEMBL627781

SCHEMBL627781

CNC(=O)C(F)n1c(=O)n(CC2CC2)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
CRHR1 P34998 4/20 0.39
GRM2 Q14416 1/20 0.38
PARG Q86W56 1/20 0.38
CNR2 P34972 3/20 0.37
OPRL1 P41146 2/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
OPRM1 P35372 1/20 0.37
CRHR2 Q13324 2/20 0.36
PTGER4 P35408 1/20 0.36
ICMT O60725 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
CNR1 P21554 2/20 0.36
AVPR1B P47901 1/20 0.35

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
SCHEMBL10146337 0.79 GRM2 (0.43) CRHR1GRM2PARGCNR2OPRM1
SCHEMBL14992331 0.77 GRM2 (0.40) CRHR1GRM2PARGCNR2OPRM1
SCHEMBL10146576 0.75 GRM2 (0.64) CRHR1GRM2PARGCRHR2PTGER4
SCHEMBL626500 0.74 MAPK14 (0.52) CRHR1GRM2PARGOPRL1KMT2A
SCHEMBL627103 0.72 GRM2 (0.47) ADORA2AADORA2BCRHR1GRM2PARG
SCHEMBL10145991 0.72 PARG (0.57) ADORA2AADORA2BGRM2PARGKMT2A
SCHEMBL625470 0.71 BRD4 (0.47) ADORA2AGRM2LMNAOPRM1
SCHEMBL627531 0.70 GRM2 (0.41) GRM2PARGPTGER4ICMT
SCHEMBL626547 0.69 PARG (0.45) ADORA2AADORA2BGRM2PARGOPRL1
SCHEMBL628168 0.67 GRM2 (0.49) CRHR1GRM2PARGCRHR2

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
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
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 ADORA2A 280/4885ADORA2B 856/4885CRHR1 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.