SCHEMBL21722779

SCHEMBL21722779

O=C(O)N1CC(SCc2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ CYP11B1 P15538 5/20 0.35
▸ CYP11B2 P19099 5/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ CA2 P00918 1/20 0.34

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
SCHEMBL22462905 0.85 RORC (0.43) SLC6A4
SCHEMBL21722834 0.82 IDO1 (0.39) IDO1SLC6A4SLC6A2SLC6A3S1PR1
Trifluoroacetic Acid SCHEMBL21722833 0.79 SLC6A4 (0.45) IDO1SLC6A4SLC6A2SLC6A3DAO
SCHEMBL22462908 0.79 MGLL (0.56) IDO1SLC6A4SLC6A2SLC6A3S1PR1
SCHEMBL19411886 0.78 IDO1 (0.48) IDO1SLC6A4S1PR1PRKXIKBKE
SCHEMBL25262695 0.77 SLC6A4 (0.50) IDO1SLC6A4SLC6A2SLC6A3S1PR1
SCHEMBL22462869 0.77 SLC6A4 (0.38) IDO1SLC6A4SLC6A2SLC6A3S1PR1
SCHEMBL21723375 0.73 MGLL (0.44) SLC6A4SLC6A2SLC6A3MGLLFFAR4
SCHEMBL21381616 0.73 PTGDR2 (0.43) PTGDR2CYP11B1CYP11B2POLBPDE2A
SCHEMBL27160732 0.73 IDO1 (0.46) IDO1SLC6A4SLC6A2SLC6A3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 — — EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 — — US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 — — US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 — — US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 — — US disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — WO disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — 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 (4 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL IDO1 3585/4885SLC6A4 4860/4885SLC6A2 4793/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL IDO1 3378/4885SLC6A4 4796/4885SLC6A2 4730/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL IDO1 3378/4885SLC6A4 4796/4885SLC6A2 4730/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL IDO1 3378/4885SLC6A4 4796/4885SLC6A2 4730/4885

“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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