SCHEMBL2892010

SCHEMBL2892010

CCCc1c(OCc2cccc(C(=O)Nc3cccc(C(=O)OC)c3)c2)ccc(C(C)=O)c1O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.53
GRM2 Q14416 6/20 0.53
CYSLTR2 Q9NS75 2/20 0.48
CREBBP Q92793 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
PPIA P62937 1/20 0.45

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
SCHEMBL2888457 0.96 CYSLTR1 (0.53) CYSLTR1GRM2CYSLTR2CREBBPRAB9A
SCHEMBL2891831 0.93 CYSLTR1 (0.53) CYSLTR1GRM2CYSLTR2CREBBPRAB9A
SCHEMBL10740766 0.92 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2MAPT
SCHEMBL2895824 0.92 GRM2 (0.63) CYSLTR1GRM2CREBBPRAB9ASMN1; SMN2
SCHEMBL3158105 0.91 CYSLTR1 (0.55) CYSLTR1GRM2CYSLTR2MAPT
SCHEMBL2891955 0.88 CYSLTR1 (0.63) CYSLTR1GRM2CYSLTR2CREBBPRAB9A
SCHEMBL2891459 0.88 CYSLTR1 (0.49) CYSLTR1GRM2CYSLTR2CREBBPRAB9A
SCHEMBL2888217 0.87 CYSLTR1 (0.51) CYSLTR1GRM2CYSLTR2
SCHEMBL2891330 0.86 GRM2 (0.61) CYSLTR1GRM2CYSLTR2MEN1KMT2A
SCHEMBL2893563 0.85 GRM2 (0.51) CYSLTR1GRM2CYSLTR2

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 9 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
EP-1817296-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057869-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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-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 3/4885GRM2 15/4885CYSLTR2 4/4885

“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.