SCHEMBL1097005

SCHEMBL1097005

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 1.00
DYRK1A Q13627 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 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
SCHEMBL1096645 1.00 P2RX7 (1.00) P2RX7DYRK1AMTNR1AMTNR1BNPC1
SCHEMBL1096643 1.00 P2RX7 (1.00) P2RX7DYRK1AMTNR1AMTNR1BNPC1
SCHEMBL2575843 1.00 P2RX7 (1.00) P2RX7DYRK1AMTNR1AMTNR1BNPC1
SCHEMBL1096429 0.90 P2RX7 (0.82) P2RX7MTNR1AMTNR1BTRPV1
SCHEMBL1097416 0.90 P2RX7 (1.00) P2RX7DYRK1AMTNR1AMTNR1BNPC1
SCHEMBL1095761 0.90 P2RX7 (1.00) P2RX7DYRK1AMTNR1AMTNR1BNPC1
SCHEMBL1098194 0.88 P2RX7 (0.78) P2RX7DYRK1ANPC1MITFALDH1A1
SCHEMBL27863927 0.88 P2RX7 (0.78) P2RX7DYRK1AMTNR1BNPC1MITF
SCHEMBL1098192 0.88 P2RX7 (0.78) P2RX7DYRK1ANPC1MITFALDH1A1
SCHEMBL1097835 0.87 P2RX7 (0.77) P2RX7MTNR1AMTNR1BALDH1A1MAOB

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 6/4885DYRK1A 1226/4885MTNR1A 52/4885

“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.