SCHEMBL30408413

SCHEMBL30408413

O=C1COCC2(CN(C(=O)N3CC4(CN(Cc5ccc(C(F)(F)F)cc5F)C4)C3)C2)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FAAH O00519 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ ABHD6 Q9BV23 2/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ ATXN2 Q99700 3/20 0.34
▸ RORC P51449 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33

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
SCHEMBL25146022 0.91 MGLL (0.41) MGLLFAAHMAOAABHD6
SCHEMBL30409719 0.86 HDAC6 (0.37) HDAC6RORC
SCHEMBL30409906 0.86 MGLL (0.41) MGLLHDAC6FAAHENPP2ATXN2
SCHEMBL30410167 0.86 MGLL (0.41) MGLLENPP2ATXN2
SCHEMBL25146109 0.82 MGLL (0.47) MGLLENPP2ATXN2
SCHEMBL30410209 0.81 MGLL (0.39) MGLLABHD6
SCHEMBL25146080 0.80 MGLL (0.47) MGLLFAAH
SCHEMBL25146247 0.80 FAAH (0.44) MGLLFAAHENPP2ATXN2
SCHEMBL25146318 0.79 MGLL (0.46) MGLLFAAHABHD6ENPP2ATXN2
SCHEMBL30409855 0.79 MGLL (0.46) MGLLFAAHABHD6ENPP2ATXN2

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 5/4885HDAC6 190/4885FAAH 54/4885

“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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