SCHEMBL1994458

SCHEMBL1994458

CCCc1c(OCc2cccc([Sn](C)(C)C)c2)ccc2c1ccn2CC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.61
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
PPARD Q03181 4/20 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
SCHEMBL1995238 0.80 GRM2 (0.68) GRM2PPARGPPARAPPARD
SCHEMBL1997237 0.79 GRM2 (0.71) GRM2PPARGPPARAPPARD
SCHEMBL1998223 0.78 GRM2 (0.70) GRM2
SCHEMBL2001373 0.77 GRM2 (0.71) GRM2
SCHEMBL1997138 0.77 GRM2 (0.65) GRM2PPARGPPARAPPARD
SCHEMBL1996029 0.77 GRM2 (1.00) GRM2
SCHEMBL1993438 0.77 GRM2 (0.61) GRM2PPARGPPARAPPARD
SCHEMBL1997576 0.76 GRM2 (0.60) GRM2PPARGPPARAPPARD
SCHEMBL1996315 0.76 GRM2 (0.65) GRM2PPARGPPARAPPARD
SCHEMBL1998513 0.74 GRM2 (0.76) GRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US 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-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 GRM2 1/4885PPARG 98/4885PPARA 222/4885

“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.