SCHEMBL3164262

SCHEMBL3164262

CC(=O)c1ccc(OCc2cccc(Oc3cc(-c4nn[nH]n4)ccn3)c2)c(C(F)(F)F)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 17/20 1.00
GRM2 Q14416 17/20 1.00
CYSLTR2 Q9NS75 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL3171343 0.89 GRM2 (1.00) CYSLTR1GRM2CYSLTR2
SCHEMBL481322 0.86 CYSLTR1 (0.79) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL5201154 0.85 GRM2 (0.75) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL13452806 0.84 GRM2 (0.71) CYSLTR1GRM2
SCHEMBL481031 0.82 CYSLTR1 (0.70) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL3173109 0.81 GRM2 (0.68) CYSLTR1GRM2MRGPRX4
SCHEMBL481049 0.78 GRM2 (0.64) CYSLTR1GRM2CYSLTR2MRGPRX4
SCHEMBL3168336 0.77 GRM2 (0.72) CYSLTR1GRM2MRGPRX4
SCHEMBL3178712 0.76 GRM2 (0.70) CYSLTR1GRM2MRGPRX4
SCHEMBL13452829 0.75 GRM2 (0.68) CYSLTR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US claimed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP claimed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US claimed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-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-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 CYSLTR1 260/4885GRM2 406/4885CYSLTR2 133/4885

“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.