SCHEMBL1997237

SCHEMBL1997237

CCCc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)ccc2c1ccn2CC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.71
MRGPRX4 Q96LA9 1/20 0.45
BCL2 P10415 2/20 0.43
PPARA Q07869 6/20 0.42
PPARG P37231 5/20 0.42
PPARD Q03181 3/20 0.41
NR4A2 P43354 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MCL1 Q07820 1/20 0.39

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 0.94 GRM2 (0.68) GRM2MRGPRX4BCL2PPARAPPARG
SCHEMBL1996315 0.89 GRM2 (0.65) GRM2MRGPRX4PPARAPPARGPPARD
SCHEMBL1997138 0.88 GRM2 (0.65) GRM2MRGPRX4PPARAPPARGPPARD
SCHEMBL1997576 0.88 GRM2 (0.60) GRM2PPARAPPARGPPARDNR4A2
SCHEMBL12611065 0.87 GRM2 (0.55) GRM2MRGPRX4BCL2PPARAPPARG
SCHEMBL1993438 0.85 GRM2 (0.61) GRM2PPARAPPARGPPARD
SCHEMBL5536081 0.83 GRM2 (0.57) GRM2BCL2PPARAPPARGPPARD
SCHEMBL1996029 0.83 GRM2 (1.00) GRM2
SCHEMBL12611812 0.81 GRM2 (0.52) GRM2MRGPRX4BCL2PPARAPPARG
SCHEMBL1998937 0.79 GRM2 (0.66) GRM2PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US claimed
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-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
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US disclosed
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 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-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 GRM2 1/4885MRGPRX4 508/4885BCL2 1687/4885

“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.