SCHEMBL25431491

SCHEMBL25431491

COc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2c1CCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ DDB1 Q16531 7/20 0.42
▸ CRBN Q96SW2 7/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL25432160 0.81 PDE4B (0.46) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL31208014 0.81 PDE4B (0.46) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL25431228 0.76 PDK4 (0.37) DDB1CRBNGPR119
SCHEMBL30496025 0.74 TRPV3 (0.50) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL31208026 0.74 TRPV3 (0.52) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL26025833 0.74 TRPV3 (0.52) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL25361679 0.74 TRPV3 (0.50) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL25366217 0.74 TRPV3 (0.52) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL25361414 0.74 TRPV3 (0.50) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL25430422 0.73 PDE4B (0.46) KDM4EALDH1A1HPGDNPSR1PDE4B

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
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 — — CN 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
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