SCHEMBL25324931

SCHEMBL25324931

CC(C)(C)OC(=O)N1CC(c2ccc(C3CCC3)c(S(C)(=O)=O)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.45
GPR119 Q8TDV5 10/20 0.45
KDM4E B2RXH2 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
STS P08842 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
SCHEMBL25325512 0.84 SLC9A1 (0.43)
SCHEMBL25326718 0.83 GPR119 (0.48) PDE4BGPR119KDM4EALOX5APFEN1
SCHEMBL25301602 0.83 NR1H2 (0.47) PDE4BGPR119NR1H2NR1H3
SCHEMBL23091747 0.81 NAMPT (0.51) PDE4BGPR119KDM4ENR1H2
SCHEMBL31638083 0.80 GPR119 (0.57) GPR119NR1H2NR1H3
SCHEMBL1763904 0.77 SLC9A1 (0.54) GPR119KDM4E
SCHEMBL21381911 0.75 PDE4B (0.49) PDE4BKDM4ENR1H2
SCHEMBL30149865 0.75 PDE4B (0.49) PDE4BKDM4ENR1H2
SCHEMBL25325654 0.75 GPR119 (0.47) PDE4BGPR119KDM4ESTS
SCHEMBL2112595 0.74 GPR119 (0.54) PDE4BGPR119KDM4ESTS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 PDE4B 856/4885GPR119 1935/4885KDM4E 1137/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.