SCHEMBL30012418

SCHEMBL30012418

O=C(N1CC2(CC(Oc3cncc(C(F)(F)F)c3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.55
▸ ABHD6 Q9BV23 9/20 0.44
▸ FFAR1 O14842 1/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32

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
SCHEMBL27142614 1.00 MGLL (0.55) MGLLABHD6FFAR1PIK3CDPIK3CA
SCHEMBL27144253 0.89 ABHD6 (0.52) MGLLABHD6
SCHEMBL30012449 0.89 ABHD6 (0.52) MGLLABHD6
SCHEMBL27147866 0.88 MGLL (0.53) MGLLABHD6
SCHEMBL27149157 0.88 MGLL (0.52) MGLLABHD6
SCHEMBL30012054 0.88 MGLL (0.52) MGLLABHD6
SCHEMBL27143788 0.88 MGLL (0.56) MGLLABHD6
SCHEMBL27153086 0.86 MGLL (0.58) MGLLABHD6
SCHEMBL30012718 0.83 MGLL (0.56) MGLLABHD6PIK3CDPIK3CA
SCHEMBL27144146 0.83 MGLL (0.56) MGLLABHD6PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 4524/4885ABHD6 2296/4885FFAR1 3567/4885

“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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