SCHEMBL25295845

SCHEMBL25295845

O=C1CSC[C@H](CCC(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ ENPP2 Q13822 3/20 0.33
▸ ATXN2 Q99700 3/20 0.33
▸ DAO P14920 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
SCHEMBL25250350 0.87 MGLL (0.43) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25302965 0.85 CYP11B1 (0.40) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25251468 0.84 MGLL (0.45) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25253572 0.83 MGLL (0.41) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25290096 0.82 MGLL (0.46) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25254799 0.82 MGLL (0.46) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25297074 0.82 MGLL (0.46) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL19411886 0.75 IDO1 (0.48) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25256421 0.74 MGLL (0.44) MGLLCYP11B1CYP11B2IDO1NAAA
SCHEMBL25292183 0.74 MGLL (0.44) MGLLCYP11B1CYP11B2IDO1NAAA

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY MGLL 996/4885CYP11B1 135/4885CYP11B2 161/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MGLL 996/4885CYP11B1 135/4885CYP11B2 161/4885

“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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