SCHEMBL12612349

SCHEMBL12612349

C=C(C)Cn1ccc2c(CCC)c(OCc3cccc(-c4ccc(C(=O)O)nc4)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.51
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PPARG P37231 11/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 6/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
GRIN2B Q13224 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL12611065 0.89 GRM2 (0.55) GRM2PPARGPPARDPPARAMRGPRX4
SCHEMBL1997138 0.88 GRM2 (0.65) GRM2PSEN1PSEN2APH1BNCSTN
SCHEMBL12611812 0.88 GRM2 (0.52) GRM2PPARGPPARDPPARAMRGPRX4
SCHEMBL12614656 0.87 GRM2 (0.47) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12614278 0.87 GRM2 (0.50) GRM2PPARGPPARDPPARACYP4F2
SCHEMBL12611998 0.82 GRM2 (0.66) GRM2
SCHEMBL12611059 0.80 GRM2 (0.78) GRM2MRGPRX4
SCHEMBL12612012 0.79 GRM2 (0.54) GRM2PPARGPPARDPPARA
SCHEMBL12613927 0.78 GRM2 (0.51) GRM2PPARGPPARDPPARA
SCHEMBL1997237 0.76 GRM2 (0.71) GRM2PPARGPPARDPPARAMRGPRX4

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 1/4885PSEN1 1016/4885PSEN2 604/4885

“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.