SCHEMBL2896355

SCHEMBL2896355

CCCc1c(OCc2cccc(NC(=O)c3cccc(-c4nn[nH]n4)c3)c2)ccc(C(C)=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.69
CYSLTR2 Q9NS75 2/20 0.69
GRM2 Q14416 17/20 0.68

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
SCHEMBL2896284 0.98 CYSLTR1 (0.68) CYSLTR1CYSLTR2GRM2
SCHEMBL2895925 0.94 CYSLTR1 (0.74) CYSLTR1CYSLTR2GRM2
SCHEMBL3172825 0.92 CYSLTR1 (0.71) CYSLTR1CYSLTR2GRM2
SCHEMBL3173210 0.88 CYSLTR1 (0.75) CYSLTR1CYSLTR2GRM2
SCHEMBL2897342 0.87 GRM2 (0.64) CYSLTR1CYSLTR2GRM2
SCHEMBL2888145 0.86 GRM2 (0.64) CYSLTR1CYSLTR2GRM2
SCHEMBL3166581 0.85 GRM2 (0.73) CYSLTR1CYSLTR2GRM2
SCHEMBL3163740 0.85 CYSLTR1 (0.71) CYSLTR1CYSLTR2GRM2
SCHEMBL13108357 0.85 CYSLTR1 (0.79) CYSLTR1CYSLTR2GRM2
SCHEMBL13108364 0.85 CYSLTR1 (0.79) CYSLTR1CYSLTR2GRM2

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 7 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
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
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
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
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 CYSLTR1 3/4885CYSLTR2 4/4885GRM2 15/4885

“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.