SCHEMBL25430422

SCHEMBL25430422

COc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.46
▸ TRPV3 Q8NET8 2/20 0.46
▸ BRD3 Q15059 2/20 0.46
▸ CCNT1 O60563 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ DNMT3A Q9Y6K1 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ HPGDS O60760 1/20 0.41

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
SCHEMBL31208008 1.00 PDE4B (0.46) PDE4BTRPV3BRD3CCNT1CDK9
SCHEMBL25431429 0.85 PIK3CD (0.43) PDE4BTRPV3CCNT1CDK9HTT
SCHEMBL31208015 0.85 PIK3CD (0.43) PDE4BTRPV3CCNT1CDK9HTT
SCHEMBL25366217 0.77 TRPV3 (0.52) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL31208026 0.77 TRPV3 (0.52) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL26025833 0.77 TRPV3 (0.52) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL25361679 0.77 TRPV3 (0.50) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL25361414 0.77 TRPV3 (0.50) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL30496025 0.77 TRPV3 (0.50) PDE4BTRPV3HTTKDM4EALDH1A1
SCHEMBL19405079 0.77 TRPV3 (0.49) PDE4BTRPV3CCNT1CDK9SMN1; SMN2

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-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 — — EP disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 — — EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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