SCHEMBL4380488

SCHEMBL4380488

CCOC(=O)c1c(-c2ccc(-c3ccccc3CO)cc2)c(C#N)cn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GRIA2 P42262 6/20 0.42
GRIA4 P48058 6/20 0.42
MAPT P10636 2/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13611769 0.95 KDM4E (0.46) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL13611597 0.93 KDM4E (0.44) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL8289322 0.92 KDM4E (0.43) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL4384188 0.91 KDM4E (0.43) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL8289780 0.90 GRIA2 (0.52) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL13611765 0.89 GRIA2 (0.51) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL4381320 0.88 KDM4E (0.46) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL8289331 0.87 GRIA2 (0.51) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL8289328 0.87 GRIA2 (0.51) KDM4EGRIA2GRIA4MAPTALDH1A1
SCHEMBL4376756 0.87 KDM4E (0.50) KDM4EGRIA2GRIA4MAPTALDH1A1

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
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

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 KDM4E 2620/4885GRIA2 17/4885GRIA4 16/4885

“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.