SCHEMBL1097647

SCHEMBL1097647

O=C1C=CN(C(=O)c2ccccc2)C(c2cccc(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.45
GSK3B P49841 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.42
FFAR2 O15552 1/20 0.41
KIF11 P52732 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL2578286 0.90 ABCB1 (0.42) P2RX7GSK3BABCB1ABCG2MEN1
SCHEMBL1097417 0.82 ABCB1 (0.46) P2RX7ABCB1ABCG2FFAR2MAOA
SCHEMBL16409325 0.78 P2RX7 (0.48) P2RX7ABCG2MEN1KMT2AMAOA
SCHEMBL3343887 0.75 P2RX7 (0.52) P2RX7MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3341365 0.75 P2RX7 (0.52) P2RX7MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3347125 0.73 RIPK1 (0.47) P2RX7PDE5AMAOAMAOBALDH1A1
SCHEMBL3347134 0.73 RIPK1 (0.47) P2RX7PDE5AMAOAMAOBALDH1A1
SCHEMBL3830752 0.73 P2RX7 (0.50) P2RX7MAOAMAOB
SCHEMBL4349642 0.73 P2RX7 (0.53) P2RX7KIF11ALDH1A1
SCHEMBL28173011 0.72 FFAR2 (0.41) GSK3BABCB1ABCG2MEN1KMT2A

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 6/4885GSK3B 3312/4885ABCB1 226/4885

“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.