SCHEMBL30795653

SCHEMBL30795653

COc1cc(N2CCOCC2)cc(C)c1NC(=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.50
GPR183 P32249 1/20 0.50
P2RX7 Q99572 3/20 0.49
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.46
PIK3CD O00329 2/20 0.44
AKT1 P31749 2/20 0.44
PIK3CB P42338 2/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3CA P42336 1/20 0.44
PPARG P37231 1/20 0.44
KCNQ2 O43526 1/20 0.43
AVPR1B P47901 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2435168 1.00 MAPT (0.57) MAPTRAB9AGPR183P2RX7LMNA
SCHEMBL2435553 0.91 GPR183 (0.56) MAPTRAB9AGPR183P2RX7LMNA
SCHEMBL2434669 0.88 MAPT (0.54) MAPTRAB9ALMNAMAPK1AKT1
SCHEMBL30795907 0.88 MAPT (0.54) MAPTRAB9ALMNAMAPK1AKT1
SCHEMBL2432710 0.85 GPR183 (0.50) MAPTGPR183P2RX7LMNAEPHX2
SCHEMBL30795263 0.85 GPR183 (0.50) MAPTGPR183P2RX7LMNAEPHX2
SCHEMBL2434583 0.81 GPR183 (0.71) MAPTRAB9AGPR183P2RX7LMNA
SCHEMBL2439725 0.80 SMN1; SMN2 (0.52) MAPTRAB9AGPR183LMNAEPHX2
SCHEMBL30814215 0.80 MAPT (0.55) MAPTRAB9ALMNAMAPK1KCNQ2
SCHEMBL2437088 0.80 MAPT (0.55) MAPTRAB9ALMNAMAPK1KCNQ2

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