SCHEMBL1100504

SCHEMBL1100504

O=C1C=CN(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.60
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CACNA1H O95180 5/20 0.51
CACNA1C Q13936 1/20 0.47
GLA P06280 1/20 0.44
GRIN2B Q13224 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1100619 0.88 P2RX7 (0.63) P2RX7ALDH1A1CACNA1HCACNA1CGRIN2B
SCHEMBL1099787 0.87 P2RX7 (0.62) P2RX7KDM4EALDH1A1CACNA1H
SCHEMBL1100696 0.85 P2RX7 (0.60) P2RX7KDM4EALDH1A1CACNA1HCACNA1C
SCHEMBL1099077 0.85 P2RX7 (0.66) P2RX7KDM4EALDH1A1CACNA1HGLA
SCHEMBL1099480 0.85 P2RX7 (0.65) P2RX7ALDH1A1GRIN2B
SCHEMBL1099849 0.85 P2RX7 (0.65) P2RX7KDM4EALDH1A1CACNA1HCACNA1C
SCHEMBL1108383 0.84 P2RX7 (0.70) P2RX7CACNA1H
SCHEMBL1099296 0.83 P2RX7 (0.66) P2RX7KDM4ECACNA1HPOLB
SCHEMBL1098514 0.82 P2RX7 (0.76) P2RX7ALDH1A1
SCHEMBL1098972 0.82 P2RX7 (0.62) P2RX7KDM4EALDH1A1

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 9 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-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
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 5/4885KDM4E 2644/4885ALDH1A1 1399/4885

“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.