SCHEMBL628219

SCHEMBL628219

Cn1c(=O)[nH]c2ccc(-c3ccccc3C#N)cc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.48
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
DYRK1A Q13627 1/20 0.41
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40

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
SCHEMBL10669417 0.82 HPGD (0.56) PGRLMNAMAPT
SCHEMBL10672614 0.82 PGR (0.47) PGRLMNAMAOBMAPT
SCHEMBL14992133 0.79 MAPK14 (0.50) TRPA1ESR2
SCHEMBL14992290 0.75 GRM2 (0.52) PGRLMNATRPA1
SCHEMBL4241189 0.75 LMNA (0.51) PGRLMNAMAOBMAPT
SCHEMBL14993213 0.73 MAPK14 (0.45) PGRTRPA1ESR2
SCHEMBL10669434 0.73 HPGD (0.58) PGRLMNAMAPT
SCHEMBL14993164 0.73 PARG (0.43) PGRESR2GRIA1
SCHEMBL10668307 0.73 MAPT (0.47) PGRLMNAMAPT
SCHEMBL24148201 0.72 PGR (0.43) PGRLMNAMAOBDYRK1A

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 10 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 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
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP 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
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 PGR 2295/4885LMNA 4836/4885TRPA1 945/4885

“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.