SCHEMBL481350

SCHEMBL481350

COc1ccc(C(OC2CCCCO2)c2ccc(CO)cc2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
PTGER4 P35408 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
CACNA1H O95180 1/20 0.33
IKBKE Q14164 2/20 0.32
TBK1 Q9UHD2 2/20 0.32
PDE4B Q07343 1/20 0.32
F11 P03951 2/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL481226 0.86 PTGER4 (0.34) PTGER4S1PR1
SCHEMBL481091 0.85 AR (0.33) ARALDH1A1KDM4EUSP2HTT
SCHEMBL481123 0.83 EPHX1 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL3105113 0.82 TACR1 (0.38) PTGER4
SCHEMBL480790 0.82 TACR1 (0.38) PTGER4
SCHEMBL3105126 0.82 TACR1 (0.38) PTGER4
SCHEMBL481093 0.80 AR (0.34) ARALDH1A1KDM4EUSP2HTT
SCHEMBL480960 0.78 CYSLTR1 (0.41)
SCHEMBL1755700 0.77 PTGER4 (0.35) ALDH1A1PTGER4NPC1RAB9A
SCHEMBL481475 0.74 TACR1 (0.41) PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-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 (3 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 AR 1634/4885ITGB1 1859/4885ITGA4 2178/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 AR 2217/4885ITGB1 3125/4885ITGA4 3625/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 AR 2217/4885ITGB1 3125/4885ITGA4 3625/4885

“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.