SCHEMBL1099665

SCHEMBL1099665

COc1cc(C)c(C)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.73
CACNA1H O95180 2/20 0.37
HTR7 P34969 2/20 0.36
PDE5A O76074 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL1099997 0.89 P2RX7 (0.77) P2RX7CACNA1HHTR7
SCHEMBL1100485 0.85 P2RX7 (0.74) P2RX7
SCHEMBL1100649 0.85 P2RX7 (0.78) P2RX7CACNA1HPDE5ANR3C2
SCHEMBL1099750 0.84 P2RX7 (1.00) P2RX7HTR7
SCHEMBL1101191 0.84 P2RX7 (0.75) P2RX7
SCHEMBL1100095 0.83 P2RX7 (0.84) P2RX7HTR7
SCHEMBL1098580 0.83 P2RX7 (0.79) P2RX7CACNA1H
SCHEMBL1098654 0.83 P2RX7 (0.84) P2RX7HTR7
SCHEMBL1099947 0.83 P2RX7 (0.67) P2RX7CACNA1H
SCHEMBL1099968 0.83 P2RX7 (0.79) P2RX7CACNA1H

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 P2RX7 5/4885CACNA1H 570/4885HTR7 316/4885

“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.