SCHEMBL25325669

SCHEMBL25325669

O=C(N1CC2(CC(Cc3ccc(C(F)(F)F)cc3F)C2)C1)N1CC2(CC(c3nc(C4(F)CC4)n[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.39
▸ ATXN2 Q99700 4/20 0.39
▸ MGLL Q99685 11/20 0.38
▸ FAAH O00519 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ SLC6A4 P31645 1/20 0.30
▸ PDF Q9HBH1 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
SCHEMBL25324622 0.93 MGLL (0.39) ENPP2ATXN2MGLLFAAHFFAR4
SCHEMBL25325195 0.88 MGLL (0.41) ENPP2ATXN2MGLLPIK3CAPRKAA2
SCHEMBL25323434 0.85 MGLL (0.40) ENPP2ATXN2MGLLPIK3CAPRKAA2
SCHEMBL25324842 0.85 MGLL (0.39) MGLL
SCHEMBL25327695 0.83 MGLL (0.40) MGLL
SCHEMBL25325656 0.82 MGLL (0.44) ENPP2ATXN2MGLLFFAR4SLC6A4
SCHEMBL25325190 0.81 MGLL (0.36) MGLL
SCHEMBL30553136 0.81 MGLL (0.36) MGLL
SCHEMBL25327908 0.81 MGLL (0.42) MGLL
SCHEMBL25326351 0.80 MGLL (0.40) MGLL

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 ENPP2 3934/4885ATXN2 1263/4885MGLL 3523/4885

“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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