SCHEMBL25325243

SCHEMBL25325243

O=C(N1CC2(CCC(Cc3ccc(C(F)(F)F)cn3)CC2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.37
▸ HCRTR1 O43613 2/20 0.33
▸ LIPE Q05469 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ADAM10 O14672 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ ADAM9 Q13443 1/20 0.31
▸ ADAM33 Q9BZ11 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL25327491 0.94 MGLL (0.40) MGLLHCRTR1SCN9AEPHX2ADAM10
SCHEMBL25324506 0.91 MGLL (0.40) MGLLHCRTR1LIPESCN9AEPHX2
SCHEMBL30553259 0.89 MGLL (0.34) MGLL
SCHEMBL25325214 0.89 MGLL (0.34) MGLL
SCHEMBL30553173 0.87 MGLL (0.38) MGLL
SCHEMBL25324294 0.87 MGLL (0.38) MGLL
SCHEMBL30553264 0.87 TRPA1 (0.37) MGLLEPHX2TRPA1
SCHEMBL25322590 0.87 TRPA1 (0.37) MGLLEPHX2TRPA1
SCHEMBL25326703 0.86 MGLL (0.41) MGLLHCRTR1LIPEEPHX2FFAR4
SCHEMBL25326350 0.85 MGLL (0.38) MGLLHCRTR1SCN9AEPHX2ADAM10

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 6 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
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 MGLL 3523/4885HCRTR1 41/4885LIPE 3975/4885

“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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