SCHEMBL31451925

SCHEMBL31451925

CC(C)(C)OC(=O)N1CCC(C#N)(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.38
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP30 Q70CQ3 1/20 0.36
SCD5 Q86SK9 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31387849 0.92 MEN1 (0.44) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL1476907 0.91 USP2 (0.45) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16414999 0.89 CYP4F2 (0.41) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL2328812 0.88 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16414783 0.86 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL89886 0.85 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16415241 0.84 CTSK (0.39) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL2798365 0.83 USP2 (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31171511 0.83 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31171534 0.83 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A

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
WO-2025096637-A1 SUBSTITUTED ARYL SULFONAMIDES FOR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2025-05-08 WO disclosed
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 WO disclosed