SCHEMBL30795660

SCHEMBL30795660

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.44
PIK3CA P42336 4/20 0.43
PIK3CG P48736 2/20 0.43
CYP3A4 P08684 2/20 0.43
PIK3CD O00329 1/20 0.43
AKT1 P31749 1/20 0.43
PIK3CB P42338 1/20 0.43
PPARG P37231 1/20 0.42
LMNA P02545 2/20 0.41
S1PR3 Q99500 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2130655 1.00 MMP13 (0.44) MMP13PIK3CAPIK3CGCYP3A4PIK3CD
SCHEMBL2129948 0.95 PPARG (0.47) PIK3CAPIK3CGCYP3A4PIK3CDAKT1
SCHEMBL2128940 0.92 AKT1 (0.44) MMP13PIK3CAPIK3CGCYP3A4PIK3CD
SCHEMBL30796126 0.92 AKT1 (0.44) MMP13PIK3CAPIK3CGCYP3A4PIK3CD
SCHEMBL2129152 0.91 TP53 (0.46) PIK3CAPIK3CGAKT1LMNANAPEPLD
SCHEMBL30796423 0.91 TP53 (0.46) PIK3CAPIK3CGAKT1LMNANAPEPLD
SCHEMBL30795851 0.91 AKT1 (0.44) MMP13PIK3CACYP3A4PIK3CDAKT1
SCHEMBL30794469 0.91 AKT1 (0.43) MMP13AKT1PPARGLMNAS1PR3
SCHEMBL2133604 0.91 AKT1 (0.43) MMP13AKT1PPARGLMNAS1PR3
SCHEMBL2130775 0.91 AKT1 (0.44) MMP13PIK3CACYP3A4PIK3CDAKT1

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