SCHEMBL4381305

SCHEMBL4381305

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 12/20 0.55
GRIA2 P42262 10/20 0.55
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL4373116 0.90 GRIA4 (0.57) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4380529 0.89 HTT (0.47) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4371152 0.89 GRIA4 (0.56) GRIA4GRIA2ALDH1A1KDM4EHPGD
SCHEMBL4381939 0.88 HTT (0.46) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4372272 0.88 GRIA4 (0.61) GRIA4GRIA2HTT
SCHEMBL4378375 0.88 GRIA4 (0.73) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4375364 0.83 GRIA4 (0.61) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4372491 0.82 GRIA4 (0.61) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL4375140 0.82 GRIA4 (0.55) GRIA4GRIA2HTTRXFP1ALDH1A1
SCHEMBL8289380 0.82 GRIA4 (0.52) GRIA4GRIA2RXFP1ALDH1A1KDM4E

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 9 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
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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 GRIA4 16/4885GRIA2 17/4885HTT 2176/4885

“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.