SCHEMBL1096797

SCHEMBL1096797

COCCOc1cc(CC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.63
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MET P08581 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1096796 1.00 P2RX7 (0.63) P2RX7POLBMAPK1METKDM4E
SCHEMBL1095891 0.93 P2RX7 (0.71) P2RX7POLB
SCHEMBL1095887 0.93 P2RX7 (0.71) P2RX7POLB
SCHEMBL1097571 0.91 P2RX7 (0.61) P2RX7
SCHEMBL1097575 0.91 P2RX7 (0.61) P2RX7
SCHEMBL1097534 0.90 P2RX7 (0.74) P2RX7POLBALDH1A1HPGD
SCHEMBL1097538 0.90 P2RX7 (0.74) P2RX7POLBALDH1A1HPGD
SCHEMBL1097554 0.88 P2RX7 (0.55) P2RX7
SCHEMBL1097552 0.88 P2RX7 (0.55) P2RX7
SCHEMBL1095380 0.87 P2RX7 (0.82) P2RX7POLB

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 6/4885POLB 4437/4885MAPK1 1394/4885

“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.