SCHEMBL30795908

SCHEMBL30795908

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PSMB5 P28074 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ GLA P06280 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ USP2 O75604 1/20 0.38
▸ GBA1 P04062 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
SCHEMBL2128433 1.00 MEN1 (0.43) MEN1KMT2APSMB5ALDH1A1KDM4E
SCHEMBL2130573 0.94 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL30796132 0.94 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL30794675 0.92 RAB9A (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL2129976 0.92 RAB9A (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL2130853 0.91 KDM4E (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL30795728 0.91 KDM4E (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL2128738 0.90 RAB9A (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL30794827 0.90 RAB9A (0.38) ALDH1A1KDM4EHPGDRAB9AGLA
SCHEMBL30794597 0.89 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EHPGDRAB9A

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
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