SCHEMBL481252

SCHEMBL481252

CC(=O)c1ccc(OCc2ccc(Cc3cccc(C#N)c3)cc2)c(C(F)(F)F)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
GRM2 Q14416 3/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
MRGPRX4 Q96LA9 8/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL3163727 0.87 GRM2 (0.51) LRRK2GRM2CYSLTR1MRGPRX4MAPT
SCHEMBL481208 0.85 LRRK2 (0.45) LRRK2GRM2CYSLTR1MRGPRX4MAPT
SCHEMBL481620 0.85 MAPT (0.48) LRRK2MRGPRX4MAPTL3MBTL1CYP2C9
SCHEMBL481236 0.83 CYSLTR1 (0.52) GRM2CYSLTR1MAPTL3MBTL1CYP2C9
SCHEMBL2940441 0.80 MRGPRX4 (0.54) GRM2CYSLTR1MRGPRX4MAPTL3MBTL1
SCHEMBL3173109 0.79 GRM2 (0.68) LRRK2GRM2CYSLTR1MRGPRX4MAPT
Hydrochloric Acid SCHEMBL2949438 0.79 MRGPRX4 (0.53) GRM2CYSLTR1MRGPRX4MAPTL3MBTL1
SCHEMBL8264022 0.78 GRM2 (0.43) GRM2CYSLTR1MRGPRX4MAPTL3MBTL1
SCHEMBL27686285 0.78 MAPT (0.64) GRM2CYSLTR1MRGPRX4MAPTL3MBTL1
SCHEMBL481038 0.78 LRRK2 (0.38) LRRK2GRM2CYSLTR1MRGPRX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
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
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN 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
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN 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 LRRK2 1851/4885GRM2 3/4885CYSLTR1 85/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 LRRK2 1116/4885GRM2 8/4885CYSLTR1 144/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 LRRK2 1116/4885GRM2 8/4885CYSLTR1 144/4885

“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.