SCHEMBL1099882

SCHEMBL1099882

O=C1C=CN(C(=O)Nc2cc(OCCO)c(Cl)cc2Br)[C@H](c2cccc(F)c2)C1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.83
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CCR3 P51677 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL1100285 0.91 P2RX7 (1.00) P2RX7KDM4ECCR3
SCHEMBL1101194 0.84 P2RX7 (0.66) P2RX7CCR3
SCHEMBL1100737 0.83 P2RX7 (0.81) P2RX7
SCHEMBL1099788 0.83 P2RX7 (0.85) P2RX7KDM4E
SCHEMBL1099939 0.81 P2RX7 (0.81) P2RX7
SCHEMBL1099699 0.81 P2RX7 (0.81) P2RX7
SCHEMBL1099697 0.81 P2RX7 (0.81) P2RX7
SCHEMBL1101333 0.81 P2RX7 (1.00) P2RX7KDM4E
SCHEMBL1100251 0.81 P2RX7 (0.71) P2RX7HTR7
SCHEMBL1098495 0.80 P2RX7 (0.82) P2RX7KDM4EHTR7

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 5/4885OPRK1 353/4885OPRM1 273/4885

“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.