SCHEMBL30700213

SCHEMBL30700213

CC(C)(C)c1ccc(C2CN(C(=O)N3CC[C@H](c4cnn[nH]4)C3)C2)nc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 6/20 0.39
TRPC6 Q9Y210 1/20 0.37
CDK13 Q14004 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
CDK7 P50613 1/20 0.35
HSD11B1 P28845 6/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A9 P48067 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL30700264 0.86 MGLL (0.43) TRPC6HSD11B1MGLLALDH1A1
SCHEMBL30700286 0.80 MGLL (0.41) KDM5AHSD11B1MGLL
SCHEMBL25253203 0.73 SLC6A9 (0.40) KDM5ATRPC6ALDH1A1SLC6A9USP30
SCHEMBL30700936 0.73 MGLL (0.39) HSD11B1MGLL
SCHEMBL30700701 0.72 RAB9A (0.35) KDM5AHSD11B1ALDH1A1USP30
SCHEMBL30700917 0.72 MGLL (0.36) KDM5AHSD11B1MGLL
SCHEMBL30700024 0.71 CA12 (0.39) HSD11B1MGLLALDH1A1USP30
SCHEMBL27291239 0.71 MGLL (0.41) KDM5AMGLL
SCHEMBL30700767 0.71 MGLL (0.38) HSD11B1MGLL
SCHEMBL30700456 0.71 APLNR (0.39) HSD11B1MGLLALDH1A1USP30

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 4 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