SCHEMBL1096455

SCHEMBL1096455

COc1ccc(CC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.60
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL1096452 1.00 P2RX7 (0.60) P2RX7ALDH1A1L3MBTL1ATMKDM4E
SCHEMBL1097648 0.90 P2RX7 (0.71) P2RX7ALDH1A1KDM4EHTTMAPK1
SCHEMBL1097740 0.89 P2RX7 (0.58) P2RX7ALDH1A1L3MBTL1ATMMAPK1
SCHEMBL1097737 0.89 P2RX7 (0.58) P2RX7ALDH1A1L3MBTL1ATMMAPK1
SCHEMBL1098202 0.87 P2RX7 (0.67) P2RX7
SCHEMBL1098200 0.87 P2RX7 (0.67) P2RX7
SCHEMBL1095378 0.84 P2RX7 (0.82) P2RX7
SCHEMBL1097058 0.84 P2RX7 (0.64) P2RX7MAPK1
SCHEMBL1095380 0.84 P2RX7 (0.82) P2RX7
SCHEMBL1098165 0.84 P2RX7 (0.59) P2RX7

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-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 P2RX7 6/4885ALDH1A1 1246/4885L3MBTL1 4108/4885

“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.