SCHEMBL30410099

SCHEMBL30410099

O=C1NCC2(CN(C(=O)N3CC4(CC(Cc5ccc(C(F)(F)F)cc5F)C4)C3)C2)N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.38
▸ FPR2 P25090 1/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ PIM1 P11309 3/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ DAO P14920 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 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
SCHEMBL25145595 0.89 MGLL (0.43) MGLLFPR2ENPP2ATXN2PIM1
SCHEMBL30409868 0.89 MGLL (0.36) MGLL
SCHEMBL30410100 0.85 MGLL (0.37) MGLLSLC6A4
SCHEMBL30408532 0.84 MGLL (0.47) MGLL
SCHEMBL30410167 0.83 MGLL (0.41) MGLLENPP2ATXN2PIM1SLC6A4
SCHEMBL31549744 0.81 ENPP2 (0.37) MGLLENPP2ATXN2SLC6A4FFAR4
SCHEMBL25146079 0.80 FAAH (0.43) FPR2ENPP2ATXN2
SCHEMBL23850001 0.80 FFAR4 (0.40) MGLLENPP2ATXN2SLC6A4FFAR4
SCHEMBL25325656 0.78 MGLL (0.44) MGLLENPP2ATXN2SLC6A4FFAR4
SCHEMBL25145708 0.77 MGLL (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 MGLL 5/4885FPR2 3946/4885ENPP2 2637/4885

“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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