SCHEMBL30700524

SCHEMBL30700524

N#Cc1ccc(CC2CC3(C2)CN(C(=O)N2CC[C@H](c4ncn[nH]4)C2)C3)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.41
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ AR P10275 7/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ FASN P49327 2/20 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
SCHEMBL30700062 0.94 MGLL (0.41) MGLLPRKCQPRKCDJAK2JAK1
SCHEMBL30700116 0.86 MGLL (0.42) MGLL
SCHEMBL30699902 0.85 AR (0.39) AR
SCHEMBL30699852 0.84 MGLL (0.42) MGLL
SCHEMBL30700751 0.84 MGLL (0.38) MGLLFASN
SCHEMBL30700427 0.83 MGLL (0.42) MGLL
SCHEMBL30700348 0.81 MGLL (0.44) MGLL
SCHEMBL30700714 0.81 MGLL (0.43) MGLL
SCHEMBL30700210 0.81 AR (0.38) MGLLS1PR1ARRXRARXRB
SCHEMBL30700098 0.80 MGLL (0.42) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 — — EP claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
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