SCHEMBL1098192

SCHEMBL1098192

COc1cc(Cl)c(CC(=O)N2C=CC(=O)C[C@H]2c2ccccc2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.78
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DYRK1A Q13627 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL1098194 1.00 P2RX7 (0.78) P2RX7MEN1CYP1A2CYP3A4MAPT
SCHEMBL1097056 0.90 P2RX7 (0.64) P2RX7KMT2A
SCHEMBL1097058 0.90 P2RX7 (0.64) P2RX7KMT2A
SCHEMBL1097005 0.88 P2RX7 (1.00) P2RX7NPC1MITFALDH1A1LMNA
SCHEMBL2575843 0.88 P2RX7 (1.00) P2RX7NPC1MITFALDH1A1LMNA
SCHEMBL1096645 0.88 P2RX7 (1.00) P2RX7NPC1MITFALDH1A1LMNA
SCHEMBL1096643 0.88 P2RX7 (1.00) P2RX7NPC1MITFALDH1A1LMNA
SCHEMBL1097416 0.88 P2RX7 (1.00) P2RX7KMT2ANPC1MITFALDH1A1
SCHEMBL1095761 0.88 P2RX7 (1.00) P2RX7KMT2ANPC1MITFALDH1A1
SCHEMBL27863927 0.88 P2RX7 (0.78) P2RX7NPC1MITFALDH1A1LMNA

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 6/4885MEN1 2751/4885CYP1A2 1535/4885

“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.