SCHEMBL31336629

SCHEMBL31336629

C[C@@H]1OC(F)(F)CN(C(=O)OC(C)(C)C)[C@@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
BRD4 O60885 4/20 0.34
CREBBP Q92793 2/20 0.34
LMNA P02545 1/20 0.34
TACR1 P25103 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL31336643 0.90 KDM4E (0.34) ALDH1A1KDM4ETDP1TP53BRD4
SCHEMBL31336854 0.85 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1TP53LMNA
SCHEMBL31372478 0.80 TP53 (0.46) ALDH1A1KDM4ETDP1TP53BRD4
SCHEMBL31372464 0.80 TP53 (0.46) ALDH1A1KDM4ETDP1TP53BRD4
SCHEMBL31336719 0.79 NR1H2 (0.38) TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL19540622 0.77 ALDH1A1 (0.36) ALDH1A1BRD4TACR1MEN1KMT2A
SCHEMBL31336605 0.77 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL31336642 0.74 USP2 (0.30) SMN1; SMN2
SCHEMBL19540631 0.73 BRD4 (0.38) ALDH1A1TP53BRD4TACR1MEN1
SCHEMBL15229767 0.73 KDM1A (0.39) BRD4

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 4 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
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
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed