SCHEMBL31040352

SCHEMBL31040352

COc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.59
PDE10A Q9Y233 1/20 0.59
GRM5 P41594 10/20 0.55
GRM1 Q13255 10/20 0.55
HTR6 P50406 1/20 0.49
NAMPT P43490 1/20 0.48
SCN9A Q15858 1/20 0.47
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
JAK1 P23458 1/20 0.46

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
SCHEMBL17001926 1.00 PDK4 (0.59) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL4013425 0.90 PDE10A (0.62) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL25345866 0.89 PDE10A (0.49) PDK4PDE10AGRM5GRM1NAMPT
SCHEMBL31155284 0.89 PDE10A (0.49) PDK4PDE10AGRM5GRM1NAMPT
SCHEMBL13769826 0.87 PDE10A (0.69) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL17655532 0.86 PDK4 (0.61) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL13770040 0.86 PDE10A (0.60) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL15951022 0.85 PDK4 (0.60) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL30676170 0.85 GRM5 (0.61) PDK4PDE10AGRM5GRM1HTR6
SCHEMBL2631187 0.85 GRM5 (0.61) PDK4PDE10AGRM5GRM1HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 EP disclosed