SCHEMBL23210288

SCHEMBL23210288

O=C1CC[C@H]2CCN(C(=O)N3CC(OCc4ccc(C(F)(F)F)cc4F)C3)CC2N1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.54
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL23177311 1.00 MGLL (0.54) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL23210161 1.00 MGLL (0.54) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL23152335 1.00 MGLL (0.54) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL27288738 0.94 MGLL (0.53) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL23152389 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23210159 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL29616710 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23152302 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23152301 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23177381 0.86 MGLL (0.54) MGLLENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107921-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 — — 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 (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-20210107921-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY MGLL 2899/4885ENPP2 1627/4885ATXN2 125/4885

“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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