SCHEMBL1101409

SCHEMBL1101409

COc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(N(C)C)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.80
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15501121 0.92 P2RX7 (0.71) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100253 0.89 P2RX7 (0.79) P2RX7MAPTSMN1; SMN2HSD17B10TRPV1
SCHEMBL1099750 0.89 P2RX7 (1.00) P2RX7MAPTSMN1; SMN2
SCHEMBL1099236 0.88 P2RX7 (1.00) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100118 0.87 P2RX7 (0.78) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100095 0.86 P2RX7 (0.84) P2RX7SMN1; SMN2HSD17B10
SCHEMBL1098654 0.86 P2RX7 (0.84) P2RX7SMN1; SMN2HSD17B10
SCHEMBL1098514 0.86 P2RX7 (0.76) P2RX7HSD17B10TRPV1
SCHEMBL1098788 0.85 P2RX7 (0.84) P2RX7MAPTSMN1; SMN2KMT2A
SCHEMBL1100057 0.85 P2RX7 (0.84) P2RX7SMN1; SMN2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885MAPT 1035/4885THRB 1879/4885

“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.