SCHEMBL31336740

SCHEMBL31336740

COc1ccc(-c2c(C(=O)O)nn(C)c2C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PTGER4 P35408 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TNKS O95271 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 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
SCHEMBL31336886 0.84 POLB (0.40) POLBPTGER4ALDH1A1NPC1RAB9A
SCHEMBL31336683 0.81 GRM5 (0.43) POLBALDH1A1NPC1RAB9ARXFP1
SCHEMBL31336809 0.77 POLB (0.40) POLBPTGER4ALDH1A1NPC1RAB9A
SCHEMBL19207050 0.76 HCRTR1 (0.45) POLBPTGER4TP53SMN1; SMN2RXFP1
SCHEMBL31336591 0.74 KDM4C (0.46) PTGER4TP53ALDH1A1RXFP1KDM4E
SCHEMBL31336692 0.73 KDM4E (0.39) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31336769 0.73 JMJD6 (0.39) POLBALDH1A1KDM4EGAA
SCHEMBL31336654 0.72 GRM5 (0.38) NPC1RXFP1SCDSCD5
SCHEMBL19207156 0.70 HCRTR1 (0.45) POLBPTGER4NPC1RAB9ARXFP1
SCHEMBL253745 0.70 MAPT (0.49) POLBTP53ALDH1A1NPC1RAB9A

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