SCHEMBL3167232

SCHEMBL3167232

CCCc1c(OCc2ccc(Oc3cc(-c4nnn[nH]4)ccn3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.75
CYSLTR1 Q9Y271 15/20 0.75
CYSLTR2 Q9NS75 2/20 0.56
CTSD P07339 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3163630 0.91 CYSLTR1 (0.76) GRM2CYSLTR1CYSLTR2
SCHEMBL3163790 0.88 GRM2 (0.73) GRM2CYSLTR1CYSLTR2TDP1
SCHEMBL3167093 0.88 GRM2 (0.74) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL3163622 0.84 CYSLTR1 (0.75) GRM2CYSLTR1CYSLTR2MEN1LMNA
SCHEMBL10751099 0.83 CYSLTR1 (0.58) GRM2CYSLTR1CYSLTR2CTSDMEN1
SCHEMBL3164696 0.83 GRM2 (0.64) GRM2CYSLTR1CYSLTR2
SCHEMBL13452632 0.83 CYSLTR1 (0.70) GRM2CYSLTR1CYSLTR2CTSDLMNA
SCHEMBL3163576 0.83 CYSLTR1 (0.64) GRM2CYSLTR1CYSLTR2CTSDMEN1
SCHEMBL481323 0.83 CYSLTR1 (0.58) GRM2CYSLTR1CYSLTR2CTSDMEN1
SCHEMBL3177596 0.82 CYSLTR1 (0.75) GRM2CYSLTR1CYSLTR2CTSDMEN1

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-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

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 GRM2 406/4885CYSLTR1 260/4885CYSLTR2 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.