SCHEMBL1998958

SCHEMBL1998958

CCCc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc2c1NNN2CC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.52
PPARA Q07869 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 4/20 0.44
RARB P10826 3/20 0.42
PLA2G4A P47712 1/20 0.41

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
SCHEMBL1996598 0.80 GRM2 (0.53) GRM2PPARATP53TSHRPLA2G4B
SCHEMBL8256435 0.76 GRM2 (0.69) GRM2PPARATP53TSHRPLA2G4B
SCHEMBL2002750 0.76 GRM2 (0.52) GRM2PPARATP53TSHRPLA2G4B
SCHEMBL1998937 0.75 GRM2 (0.66) GRM2PPARA
SCHEMBL5533623 0.74 GRM2 (0.53) GRM2PPARATP53TSHRPLA2G4B
SCHEMBL6244487 0.69 GRM2 (1.00) GRM2PPARA
SCHEMBL10744397 0.67 GRM2 (0.95) GRM2PPARA
SCHEMBL503727 0.66 TP53 (0.96) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL736876 0.66 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10798086 0.66 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A

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 4 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 claimed
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-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 1/4885PPARA 222/4885TP53 4861/4885

“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.