SCHEMBL31336711

SCHEMBL31336711

Cc1cc(C)c(-c2ncccn2)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
MYC P01106 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL31336718 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1MYCMAPT
SCHEMBL30775045 0.72 HCRTR2 (0.50) ALDH1A1MYCMAPTKDM4EL3MBTL1
SCHEMBL264270 0.72 HCRTR2 (0.50) ALDH1A1MYCMAPTKDM4EL3MBTL1
SCHEMBL31372556 0.72 GRM5 (0.40) ALDH1A1SMN1; SMN2MYCMAPTKDM4E
SCHEMBL11378060 0.72 MYC (0.58) ALDH1A1SMN1; SMN2MAPK1MYCKDM4E
SCHEMBL31336616 0.71 TDP1 (0.38) ALDH1A1SMN1; SMN2MYCMAPTKDM4E
SCHEMBL607037 0.71 HCRTR2 (0.49) ALDH1A1MYCMAPTKDM4EL3MBTL1
Lithium SCHEMBL607039 0.71 HCRTR2 (0.49) ALDH1A1MYCMAPTKDM4EL3MBTL1
SCHEMBL15058237 0.71 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL31336734 0.69 S1PR4 (0.44) ALDH1A1MAPTKDM4EL3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO claimed
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
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO disclosed
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-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed