SCHEMBL30795157

SCHEMBL30795157

Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1NC(=O)CCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
KCNQ2 O43526 3/20 0.40
PSMB5 P28074 1/20 0.40
LMNA P02545 1/20 0.39
CNR1 P21554 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2435718 1.00 MAPT (0.42) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL2438451 0.90 ALDH1A1 (0.48) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL2435114 0.88 CNR1 (0.51) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL30794573 0.88 CNR1 (0.51) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL30794869 0.83 MAPT (0.48) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL2434903 0.83 MAPT (0.48) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL2434625 0.83 ALDH1A1 (0.50) MAPTKDM4EALOX15L3MBTL1ALDH1A1
SCHEMBL30795268 0.82 KCNQ2 (0.60) KCNQ2
SCHEMBL2435159 0.82 KCNQ2 (0.60) KCNQ2
SCHEMBL2436625 0.79 MAPT (0.41) MAPTKDM4EL3MBTL1ALDH1A1GAA

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-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed