SCHEMBL31336591

SCHEMBL31336591

COc1ccc(-c2c(C(=O)O)ncn2C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.46
KDM5A P29375 3/20 0.46
KDM2B Q8NHM5 3/20 0.46
KDM5B Q9UGL1 3/20 0.46
PTGER4 P35408 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
SCD O00767 2/20 0.37
SCD5 Q86SK9 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CHEK1 O14757 1/20 0.36
PTGS2 P35354 1/20 0.36
GRM5 P41594 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL31336796 0.88 KDM5A (0.40) KDM4CKDM5AKDM2BKDM5BPTGER4
SCHEMBL31372689 0.81 KDM4C (0.43) KDM4CKDM5AKDM2BKDM5BTP53
SCHEMBL31336658 0.76 ALDH1A1 (0.39) KDM4CKDM5AKDM2BKDM5BPTGER4
SCHEMBL19207050 0.74 HCRTR1 (0.45) PTGER4RXFP1TP53SCDSCD5
SCHEMBL31336740 0.74 POLB (0.50) PTGER4RXFP1TP53SCDSCD5
SCHEMBL11908336 0.70 ATR (0.42) PTGER4RXFP1CA1CA2CSNK2A2
SCHEMBL20028090 0.69 NSD3 (0.50) KDM4CKDM5AKDM2BKDM5BCA1
SCHEMBL4462126 0.69 RXFP1 (0.68) PTGER4RXFP1TP53CA1CA2
SCHEMBL3147993 0.69 CA12 (0.50) RXFP1CA1CA2ALDH1A1
SCHEMBL30335253 0.69 CA12 (0.50) RXFP1CA1CA2ALDH1A1

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-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
WO-2025023852-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