SCHEMBL4562563

SCHEMBL4562563

CCOC(=O)c1c(-c2ccc(Oc3cccc(C#N)c3)cc2)c(C#N)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MAP2K1 Q02750 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GPR55 Q9Y2T6 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GRM5 P41594 1/20 0.40
ELANE P08246 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
BACE1 P56817 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4373016 0.90 MAP2K1 (0.50) MAP2K1KDM4EGPR55L3MBTL1ALDH1A1
SCHEMBL8289330 0.90 KDM4E (0.48) HRH2HRH1MAP2K1KDM4EGPR55
SCHEMBL4470142 0.89 KDM4E (0.45) MAP2K1KDM4EGPR55L3MBTL1ALDH1A1
SCHEMBL8288507 0.87 GRIA2 (0.44) GRIA2GRIA4BACE1
SCHEMBL8288405 0.86 AR (0.42) MAP2K1KDM4EGPR55L3MBTL1ALDH1A1
SCHEMBL4558565 0.85 MEN1 (0.48) MAP2K1KDM4EGPR55L3MBTL1ALDH1A1
SCHEMBL4540892 0.84 GPR55 (0.43) MAP2K1KDM4EGPR55L3MBTL1ALDH1A1
SCHEMBL8289281 0.82 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1HTTTDP1
SCHEMBL6065449 0.81 AR (0.51) HRH2HRH1MEN1KMT2A
SCHEMBL8288366 0.81 KDM4E (0.53) KDM4EGPR55L3MBTL1ALDH1A1HTT

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 HRH2 1897/4885HRH1 1564/4885MAP2K1 3167/4885

“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.