SCHEMBL626547

SCHEMBL626547

N#CCn1c(=O)n(CC2CC2)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.45
CYP1A2 P05177 1/20 0.44
GRM2 Q14416 1/20 0.41
MAPK14 Q16539 3/20 0.37
KDM2B Q8NHM5 4/20 0.36
OPRM1 P35372 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL627531 0.84 GRM2 (0.41) PARGGRM2KDM2BMETAP2
SCHEMBL626500 0.84 MAPK14 (0.52) PARGCYP1A2GRM2MAPK14OPRM1
SCHEMBL625470 0.82 BRD4 (0.47) GRM2OPRM1ADORA2AALDH1A1
SCHEMBL627103 0.81 GRM2 (0.47) PARGGRM2MAPK14OPRM1ADORA2A
SCHEMBL10146576 0.80 GRM2 (0.64) PARGGRM2MAPK14
SCHEMBL14992331 0.79 GRM2 (0.40) PARGGRM2KDM2BOPRM1METAP2
SCHEMBL10145991 0.79 PARG (0.57) PARGGRM2ADORA2AADORA2BMETAP2
SCHEMBL10146337 0.75 GRM2 (0.43) PARGGRM2OPRM1METAP2
SCHEMBL625527 0.70 GRM2 (0.51) PARGGRM2KDM2B
SCHEMBL14992698 0.70 PARG (0.45) PARGCYP1A2GRM2OPRM1OPRK1

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 9 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-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 4723/4885CYP1A2 3682/4885GRM2 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.