SCHEMBL1097571

SCHEMBL1097571

O=C1C=CN(C(=O)Cc2cc(OCCO)c(F)cc2Br)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.61
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
EGFR P00533 1/20 0.31
MAPK14 Q16539 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
SCHEMBL1097575 1.00 P2RX7 (0.61) P2RX7YAP1TEAD4BCL9CTNNB1
SCHEMBL1096797 0.91 P2RX7 (0.63) P2RX7
SCHEMBL1096796 0.91 P2RX7 (0.63) P2RX7
SCHEMBL1096693 0.90 P2RX7 (0.60) P2RX7
SCHEMBL1096695 0.90 P2RX7 (0.60) P2RX7
SCHEMBL1096143 0.89 P2RX7 (0.61) P2RX7EGFR
SCHEMBL1096139 0.89 P2RX7 (0.61) P2RX7EGFR
SCHEMBL1097538 0.88 P2RX7 (0.74) P2RX7
SCHEMBL1097534 0.88 P2RX7 (0.74) P2RX7
SCHEMBL1097554 0.86 P2RX7 (0.55) P2RX7

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
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
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 6/4885YAP1 4710/4885TEAD4 4216/4885

“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.