SCHEMBL2893563

SCHEMBL2893563

CCCc1c(OCc2cccc(NC(=O)c3cccc(C#N)c3)c2)ccc(C(C)=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.51
CYSLTR1 Q9Y271 6/20 0.51
MET P08581 2/20 0.47
XDH P47989 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
SGMS2 Q8NHU3 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2888217 0.97 CYSLTR1 (0.51) GRM2CYSLTR1METXDHCYSLTR2
SCHEMBL2893623 0.92 GRM2 (0.52) GRM2CYSLTR1XDHCYSLTR2
SCHEMBL3177661 0.89 CYSLTR1 (0.52) GRM2CYSLTR1CYSLTR2SGMS2PPARG
SCHEMBL10751332 0.88 CYSLTR1 (0.58) GRM2CYSLTR1CYSLTR2PPARGPPARD
SCHEMBL2891955 0.88 CYSLTR1 (0.63) GRM2CYSLTR1CYSLTR2
SCHEMBL2888457 0.87 CYSLTR1 (0.53) GRM2CYSLTR1CYSLTR2PPARGPPARD
SCHEMBL2895824 0.86 GRM2 (0.63) GRM2CYSLTR1
SCHEMBL2894689 0.85 RXFP1 (0.46) GRM2CYSLTR1CYSLTR2PPARGPPARD
SCHEMBL2892010 0.85 CYSLTR1 (0.53) GRM2CYSLTR1CYSLTR2
SCHEMBL3157692 0.85 CYSLTR1 (0.51) GRM2CYSLTR1CYSLTR2PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 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-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; LTB4R, LTB4R2, CYSLTR1 GRM2 15/4885CYSLTR1 3/4885MET 2716/4885

“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.