SCHEMBL3347134

SCHEMBL3347134

O=C1C=CN(C(=O)O)C(c2cccc(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
PDE5A O76074 1/20 0.44
P2RX7 Q99572 10/20 0.43
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
NR3C2 P08235 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3347125 1.00 RIPK1 (0.47) RIPK1PDE5AP2RX7MAOBMAOA
SCHEMBL3347368 0.86 P2RX7 (0.43) RIPK1P2RX7
SCHEMBL3344365 0.86 P2RX7 (0.43) RIPK1P2RX7
SCHEMBL3341954 0.86 P2RX7 (0.43) RIPK1P2RX7
SCHEMBL3343887 0.84 P2RX7 (0.52) RIPK1P2RX7ALDH1A1
SCHEMBL3341365 0.84 P2RX7 (0.52) RIPK1P2RX7ALDH1A1
SCHEMBL3339870 0.83 P2RX7 (0.44) P2RX7
SCHEMBL3344358 0.83 P2RX7 (0.44) P2RX7
SCHEMBL3339864 0.83 P2RX7 (0.44) P2RX7
SCHEMBL1100850 0.83 P2RX7 (0.54) P2RX7NR3C2

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 5 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
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
CN-102264701-A Dihydropyridone ureas as P2X7 modulators 2011-11-30 CN 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

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 RIPK1 1786/4885PDE5A 1615/4885P2RX7 5/4885

“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.