SCHEMBL1099211

SCHEMBL1099211

C[C@@H](O)c1cc(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)c(Br)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.73
CACNA1H O95180 5/20 0.36
CACNA1C Q13936 1/20 0.36
EGFR P00533 1/20 0.32
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1099951 1.00 P2RX7 (0.73) P2RX7CACNA1HCACNA1CEGFRKMT2A
SCHEMBL1108376 1.00 P2RX7 (0.73) P2RX7CACNA1HCACNA1CEGFRKMT2A
SCHEMBL1100939 1.00 P2RX7 (0.73) P2RX7CACNA1HCACNA1CEGFRKMT2A
SCHEMBL1099994 1.00 P2RX7 (0.73) P2RX7CACNA1HCACNA1CEGFRKMT2A
SCHEMBL1098727 0.89 P2RX7 (0.81) P2RX7CACNA1HCACNA1CEGFR
SCHEMBL1099425 0.88 P2RX7 (0.79) P2RX7CACNA1HCACNA1CEGFR
SCHEMBL1100228 0.86 P2RX7 (0.77) P2RX7CACNA1HCACNA1CEGFR
SCHEMBL1099777 0.85 P2RX7 (0.66) P2RX7CACNA1HCACNA1C
SCHEMBL1108394 0.85 P2RX7 (0.66) P2RX7CACNA1HCACNA1C
SCHEMBL1098826 0.85 P2RX7 (0.76) P2RX7CACNA1HCACNA1CEGFR

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 5/4885CACNA1H 570/4885CACNA1C 543/4885

“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.