SCHEMBL4375263

SCHEMBL4375263

CCOC(=O)c1c(-c2ccc(OCCCC#N)cc2)c(C#N)c(CC)n1C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 18/20 0.57
GRIA4 P48058 18/20 0.57
HRH3 Q9Y5N1 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8289784 0.89 GRIA2 (0.60) GRIA2GRIA4
SCHEMBL8288501 0.89 GRIA4 (0.72) GRIA2GRIA4
SCHEMBL8289349 0.85 GRIA2 (0.77) GRIA2GRIA4
SCHEMBL8289783 0.85 GRIA2 (0.60) GRIA2GRIA4
SCHEMBL8289332 0.85 GRIA2 (0.65) GRIA2GRIA4
SCHEMBL4482046 0.84 GRIA2 (0.51) GRIA2GRIA4
SCHEMBL8289350 0.84 GRIA2 (0.74) GRIA2GRIA4
SCHEMBL13604494 0.84 GRIA2 (0.55) GRIA2GRIA4
SCHEMBL4373295 0.83 GRIA2 (0.59) GRIA2GRIA4
Benzene SCHEMBL4377778 0.83 GRIA2 (0.54) GRIA2GRIA4

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-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 GRIA2 17/4885GRIA4 16/4885HRH3 1043/4885

“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.