SCHEMBL1096756

SCHEMBL1096756

COc1cc(Br)c(CC(=O)N2C=CC(=O)CC2c2cccc(C)c2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.82
ROCK2 O75116 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 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
SCHEMBL1095651 0.91 P2RX7 (0.82) P2RX7ROCK2
SCHEMBL1095761 0.90 P2RX7 (1.00) P2RX7ALDH1A1GAACA1CA2
SCHEMBL1097416 0.90 P2RX7 (1.00) P2RX7ALDH1A1GAACA1CA2
SCHEMBL1097286 0.90 P2RX7 (0.81) P2RX7
SCHEMBL1096780 0.90 P2RX7 (0.81) P2RX7
SCHEMBL1096783 0.90 P2RX7 (0.81) P2RX7
SCHEMBL1096450 0.89 P2RX7 (0.83) P2RX7CA1CA2CA12CA9
SCHEMBL1096204 0.87 P2RX7 (0.77) P2RX7CA1CA2CA12CA9
SCHEMBL1095380 0.85 P2RX7 (0.82) P2RX7ROCK2CA1CA2CA12
SCHEMBL1095378 0.85 P2RX7 (0.82) P2RX7ROCK2CA1CA2CA12

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
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 P2RX7 6/4885ROCK2 4221/4885TDP1 1401/4885

“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.