SCHEMBL1096757

SCHEMBL1096757

COc1c[c]c(C(C)C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL16291598 0.79 LMNA (0.42) HTR2ACYP3A4CA1CA2
SCHEMBL11043525 0.72
SCHEMBL27928887 0.72 HMGCR (0.35) HTR2ACYP3A4GAAMGAMSI
SCHEMBL1097867 0.70 ACHE (0.41) CYP3A4MAPTPDE3BPDE3AACHE
SCHEMBL592705 0.70 CYP3A4 (0.39) CYP3A4MAPTACHEALDH1A1CA12
SCHEMBL312106 0.68 ALDH1A1 (0.38) CYP3A4MAPTGAAPDE3BPDE3A
SCHEMBL5169506 0.68 CYP3A4 (0.37) CYP3A4MAPTGAAPOLBACHE
SCHEMBL5190252 0.68 CYP3A4 (0.39) CYP3A4MAPTGAAACHEALDH1A1
SCHEMBL1096975 0.68 CYP3A4 (0.37) CYP3A4MAPTPOLBACHEALDH1A1
SCHEMBL1299376 0.68 CYP3A4 (0.37) CYP3A4MAPTACHEALDH1A1CA12

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264700-B Can be used as the dihydropyridine keto-amide of the medicine for the treatment of autoimmunization and inflammatory diseases HOFFMAN-LA ROCHE LTD. (CH) 2015-08-19 CN disclosed
CN-102264702-B Dihydropyridinone amides as P2X7 modulators HOFFMANN LA ROCHE 2015-03-25 CN disclosed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
CN-102639532-A Fused triazole amines as P2X7 modulators HOFFMANN LA ROCHE 2012-08-15 CN disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
CN-102471284-A Dihydropyrimidone amides as P2X7 modulators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS 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 (5 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 HTR2A 314/4885CYP3A4 1966/4885MAPT 1035/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 HTR2A 152/4885CYP3A4 1812/4885MAPT 2793/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 HTR2A 430/4885CYP3A4 1792/4885MAPT 4154/4885
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 HTR2A 136/4885CYP3A4 646/4885MAPT 3294/4885
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HTR2A 173/4885CYP3A4 1531/4885MAPT 2263/4885

“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.