SCHEMBL1097648

SCHEMBL1097648

COc1ccc(CC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.71
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1096452 0.90 P2RX7 (0.60) P2RX7ALDH1A1KDM4EHTTMAPK1
SCHEMBL1096455 0.90 P2RX7 (0.60) P2RX7ALDH1A1KDM4EHTTMAPK1
SCHEMBL1097740 0.89 P2RX7 (0.58) P2RX7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL1097737 0.89 P2RX7 (0.58) P2RX7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL1096667 0.85 P2RX7 (0.77) P2RX7ALDH1A1HTTLMNANPSR1
SCHEMBL1098192 0.83 P2RX7 (0.78) P2RX7ALDH1A1HTTLMNANPSR1
SCHEMBL2575843 0.83 P2RX7 (1.00) P2RX7ALDH1A1HTTLMNAPKM
SCHEMBL1095761 0.83 P2RX7 (1.00) P2RX7ALDH1A1HTTLMNANPSR1
SCHEMBL1098194 0.83 P2RX7 (0.78) P2RX7ALDH1A1HTTLMNANPSR1
SCHEMBL1096645 0.83 P2RX7 (1.00) P2RX7ALDH1A1HTTLMNAPKM

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 4 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
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
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 6/4885ALDH1A1 1246/4885KDM4E 2911/4885

“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.