SCHEMBL1097737

SCHEMBL1097737

COc1ccc(CC(=O)N2C=CC(=O)C[C@H]2c2cccc(F)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.58
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.45
OPRK1 P41145 3/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1097740 1.00 P2RX7 (0.58) P2RX7POLBATML3MBTL1KMT2A
SCHEMBL1096455 0.89 P2RX7 (0.60) P2RX7ATML3MBTL1ALDH1A1MAPK1
SCHEMBL1096452 0.89 P2RX7 (0.60) P2RX7ATML3MBTL1ALDH1A1MAPK1
SCHEMBL1097648 0.89 P2RX7 (0.71) P2RX7ALDH1A1TSHRMAPK1NPSR1
SCHEMBL1096404 0.87 P2RX7 (0.67) P2RX7POLBATML3MBTL1OPRK1
SCHEMBL1096408 0.87 P2RX7 (0.67) P2RX7POLBATML3MBTL1OPRK1
SCHEMBL1096780 0.85 P2RX7 (0.81) P2RX7POLBOPRK1OPRM1
SCHEMBL1096783 0.85 P2RX7 (0.81) P2RX7POLBOPRK1OPRM1
SCHEMBL1100283 0.81 P2RX7 (0.59) P2RX7ATML3MBTL1TSHRNPSR1
SCHEMBL1098200 0.76 P2RX7 (0.67) 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 7 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
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US 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
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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 4437/4885ATM 3493/4885

“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.