SCHEMBL8289271

SCHEMBL8289271

CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c(C#N)cn1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.52
MAPT P10636 4/20 0.46
ALDH1A1 P00352 12/20 0.45
NPSR1 Q6W5P4 4/20 0.45
HTT P42858 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 7/20 0.43
TDP1 Q9NUW8 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIA4 P48058 3/20 0.43
GRIA2 P42262 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 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
SCHEMBL8289274 0.91 KDM4E (0.50) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL8288366 0.87 KDM4E (0.53) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL4373016 0.78 MAP2K1 (0.50) KDM4EALDH1A1NPSR1HTTRXFP1
SCHEMBL4381320 0.77 KDM4E (0.46) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL8289780 0.77 GRIA2 (0.52) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL8287323 0.76 GRIA2 (0.46) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL8289281 0.76 KDM4E (0.49) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL13611765 0.76 GRIA2 (0.51) KDM4EMAPTALDH1A1NPSR1HTT
SCHEMBL8287336 0.76 GRIA2 (0.52) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL4377035 0.76 FNTA (0.47) KDM4EMAPTALDH1A1LMNAHPGD

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 4 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
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
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 2620/4885MAPT 558/4885ALDH1A1 2211/4885

“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.