SCHEMBL31336615

SCHEMBL31336615

Cn1cc(-c2ccc(C#N)cc2)c(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.43
SLC22A12 Q96S37 3/20 0.41
MAP4K4 O95819 1/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
EP300 Q09472 2/20 0.39
KDM1A O60341 1/20 0.39
RPA1 P27694 1/20 0.38
PDE10A Q9Y233 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PTPN11 Q06124 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
SCHEMBL19207108 0.81 MAPT (0.41) MAP4K4
SCHEMBL31336790 0.81 EGLN2 (0.39) CYP11B2SLC22A12KDM1AEGLN2MAPKAPK2
SCHEMBL2817067 0.81 HCRTR1 (0.42)
SCHEMBL31336729 0.81 HCRTR2 (0.40) EP300EGLN2
SCHEMBL19207144 0.80 SMN1; SMN2 (0.47) RPA1
SCHEMBL1257163 0.80 CSNK1D (0.51) MAP4K4
SCHEMBL28427348 0.80 HCRTR1 (0.42)
SCHEMBL30599787 0.78 DRD2 (0.40) CYP11B2SLC22A12MAP4K4KDM1A
SCHEMBL19207019 0.78 SMN1; SMN2 (0.49) MAPKAPK2
SCHEMBL19207140 0.75 HCRTR1 (0.41) SLC22A12MAP4K4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP claimed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed