SCHEMBL23150501

SCHEMBL23150501

O=C1CO[C@H]2CCN(C(=O)N3CCC4(CC3)CC(Oc3ccc(C(F)(F)F)cc3F)C4)C[C@@H]2N1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.60

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
SCHEMBL23150502 1.00 MGLL (0.60) MGLL
SCHEMBL23176605 1.00 MGLL (0.60) MGLL
SCHEMBL29511866 1.00 MGLL (0.60) MGLL
SCHEMBL23853805 1.00 MGLL (0.60) MGLL
SCHEMBL25784982 1.00 MGLL (0.60) MGLL
SCHEMBL23853760 0.93 MGLL (0.60) MGLL
SCHEMBL21730823 0.91 MGLL (0.66) MGLL
SCHEMBL25785678 0.90 MGLL (0.49) MGLL
SCHEMBL24095476 0.90 MGLL (0.49) MGLL
SCHEMBL32685334 0.87 MGLL (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106328-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-04-07 — — US claimed
WO-2021058444-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 — — WO claimed
US-20210094972-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US claimed
US-20220106328-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-04-07 — — US disclosed
WO-2021058444-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 — — WO disclosed
WO-2021058444-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 — — WO disclosed
US-20210094972-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US disclosed
US-20210094972-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US 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 (2 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-20220106328-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 MGLL 2162/4885
US-20210094972-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 MGLL 2162/4885

“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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