SCHEMBL2891330

SCHEMBL2891330

CCCc1c(OCc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)ccc(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.61
CYSLTR1 Q9Y271 7/20 0.61
MRGPRX4 Q96LA9 3/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PDE5A O76074 4/20 0.47

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
SCHEMBL2895824 0.93 GRM2 (0.63) GRM2CYSLTR1MRGPRX4MEN1KMT2A
SCHEMBL2891831 0.92 CYSLTR1 (0.53) GRM2CYSLTR1MRGPRX4MEN1KMT2A
SCHEMBL2888192 0.91 CYSLTR1 (0.55) GRM2CYSLTR1MEN1KMT2AKDM4E
SCHEMBL2891955 0.91 CYSLTR1 (0.63) GRM2CYSLTR1CYSLTR2
SCHEMBL10740242 0.89 CYSLTR1 (0.73) GRM2CYSLTR1MRGPRX4CYSLTR2MAPT
SCHEMBL2896513 0.88 GRM2 (0.58) GRM2CYSLTR1MRGPRX4CYSLTR2
SCHEMBL2894244 0.87 MEN1 (0.51) GRM2CYSLTR1MEN1KMT2ACYSLTR2
SCHEMBL2892010 0.86 CYSLTR1 (0.53) GRM2CYSLTR1MEN1KMT2AKDM4E
SCHEMBL481005 0.85 CYSLTR1 (0.68) GRM2CYSLTR1MRGPRX4CYSLTR2PDE5A
SCHEMBL3163137 0.85 CYSLTR1 (0.65) GRM2CYSLTR1MRGPRX4CYSLTR2MAPT

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 GRM2 15/4885CYSLTR1 3/4885MRGPRX4 322/4885

“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.