SCHEMBL1746069

SCHEMBL1746069

Cc1[c]cc2c(c1)CCC(=O)N2CCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.38
CHRM1 P11229 11/20 0.34
CHRM2 P08172 8/20 0.34
CHRM4 P08173 8/20 0.34
CHRM5 P08912 8/20 0.34
CHRM3 P20309 8/20 0.34
DRD2 P14416 8/20 0.34
DRD4 P21917 8/20 0.34
DRD3 P35462 8/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL1746770 0.79 CYP11B2 (0.40) BRD4
SCHEMBL1744203 0.74 HDAC1 (0.36) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3344187 0.74 ATAD2 (0.43) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL10130299 0.74 GRIN1 (0.46) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3344184 0.73 PYGL (0.30)
SCHEMBL13386729 0.71 ATAD2 (0.47) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3599801 0.71 ATAD2 (0.68) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL3599798 0.71 ATAD2 (0.46) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL14277003 0.69 POLB (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1744658 0.69 SRD5A1 (0.38) BRD4

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
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 ATAD2 2666/4885CHRM1 71/4885CHRM2 60/4885

“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.