SCHEMBL25326454

SCHEMBL25326454

O=C(N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ DPP4 P27487 6/20 0.39
▸ KCNH2 Q12809 5/20 0.39
▸ DPP7 Q9UHL4 5/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL25324442 0.90 TGFBR1 (0.43) MGLLALDH1A1NAMPT
SCHEMBL25323646 0.87 MGLL (0.49) MGLLLMNAALDH1A1
SCHEMBL25325330 0.84 DPP4 (0.42) HTR2BDPP4EPHX2PDE2A
SCHEMBL25322611 0.82 TGFBR1 (0.37) MGLLLMNAALDH1A1NAMPT
SCHEMBL27151210 0.82 MGLL (0.53) MGLLL3MBTL1DPP4KCNH2DPP7
SCHEMBL25323642 0.80 MEN1 (0.43) HTR2BDPP4EPHX2SCN9A
SCHEMBL25324392 0.78 SCN7A (0.39) MGLLHTR2BPDE2A
SCHEMBL25326562 0.77 CHRNA7 (0.39) MGLLSCN9A
SCHEMBL30553214 0.77 CHRNA7 (0.39) MGLLSCN9A
SCHEMBL25325360 0.77 SFRP1 (0.41) DPP4KCNH2DPP7EPHX2LMNA

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 5 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 claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
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 MGLL 3523/4885L3MBTL1 2121/4885HTR2B 106/4885

“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.

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