SCHEMBL1099212

SCHEMBL1099212

COc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)c(F)c2)c(Br)cc1C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.74
PDE5A O76074 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
FFAR2 O15552 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1100350 1.00 P2RX7 (0.74) P2RX7PDE5AMAPTCRHBPCRHR2
SCHEMBL1099956 1.00 P2RX7 (0.74) P2RX7PDE5AMAPTCRHBPCRHR2
SCHEMBL1099960 0.92 P2RX7 (0.88) P2RX7HTR7
SCHEMBL1100251 0.89 P2RX7 (0.71) P2RX7MAPTHTR7LMNA
SCHEMBL1099219 0.89 P2RX7 (0.73) P2RX7FFAR2HTR7
SCHEMBL1100845 0.89 P2RX7 (0.73) P2RX7FFAR2HTR7
SCHEMBL1100365 0.89 P2RX7 (0.73) P2RX7FFAR2HTR7
SCHEMBL1100464 0.85 P2RX7 (0.68) P2RX7MAPT
SCHEMBL1099236 0.85 P2RX7 (1.00) P2RX7
SCHEMBL1100203 0.84 P2RX7 (1.00) P2RX7HTR7

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 5/4885PDE5A 1615/4885MAPT 1035/4885

“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.