SCHEMBL1996315

SCHEMBL1996315

CCCc1c(OCc2cccc(-c3cncc(C(=O)O)c3)c2)ccc2c1ccn2CC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.65
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.40
GRIN2B Q13224 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PTGER1 P34995 2/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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 0.92 GRM2 (0.68) GRM2CYSLTR1MRGPRX4PPARAPPARG
SCHEMBL1997237 0.89 GRM2 (0.71) GRM2MRGPRX4PPARAPPARGPPARD
SCHEMBL12614278 0.88 GRM2 (0.50) GRM2CYP4F2CYP4A11CYSLTR1GRIN2B
SCHEMBL1997138 0.86 GRM2 (0.65) GRM2CYP4F2CYP4A11GRIN2BMRGPRX4
SCHEMBL1993438 0.85 GRM2 (0.61) GRM2CYP4F2CYP4A11PPARAPPARG
SCHEMBL1997540 0.82 GRM2 (0.66) GRM2
SCHEMBL1997576 0.81 GRM2 (0.60) GRM2CYSLTR1PPARAPPARGPPARD
SCHEMBL12611812 0.79 GRM2 (0.52) GRM2CYSLTR1MRGPRX4PPARAPPARG
SCHEMBL1996029 0.78 GRM2 (1.00) GRM2
SCHEMBL5535954 0.78 GRM2 (0.53) GRM2CYP4F2CYP4A11PPARAPPARG

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
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US claimed
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP claimed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO 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 1/4885CYP4F2 1824/4885CYP4A11 3665/4885

“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.