SCHEMBL21723005

SCHEMBL21723005

O=C(O)N1CC(OCc2ccc(OC(F)(F)F)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.43
ATXN2 Q99700 7/20 0.42
FFAR4 Q5NUL3 5/20 0.39
CTSK P43235 1/20 0.39
NAAA Q02083 1/20 0.39
S1PR1 P21453 1/20 0.39
PRKX P51817 1/20 0.39
IKBKE Q14164 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
GRM2 Q14416 1/20 0.39
ALOX5AP P20292 1/20 0.38

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
SCHEMBL22462930 0.85 LIPE (0.46) ENPP2ATXN2GRM2
SCHEMBL19411886 0.83 IDO1 (0.48) ENPP2ATXN2NAAAS1PR1PRKX
SCHEMBL29277447 0.82 NAAA (0.40) ENPP2ATXN2FFAR4CTSKNAAA
SCHEMBL27144034 0.81 CARM1 (0.49) ENPP2NAAACARM1PRMT6
SCHEMBL27138919 0.80 LMNA (0.36) CTSKNAAAS1PR1PRKXIKBKE
SCHEMBL21722847 0.78 NAAA (0.44) ENPP2ATXN2CTSKNAAACARM1
SCHEMBL25297788 0.78 NAAA (0.36) NAAAS1PR1S1PR5ALOX5AP
SCHEMBL25326239 0.77 GPR119 (0.51) ENPP2ATXN2
SCHEMBL30700557 0.76 ENPP2 (0.46) ENPP2ATXN2FFAR4
SCHEMBL23211736 0.76 NOTUM (0.43) FFAR4

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-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 EP disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 WO disclosed
WO-2020035424-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 ENPP2 995/4885ATXN2 1660/4885FFAR4 851/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ENPP2 644/4885ATXN2 1291/4885FFAR4 472/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL ENPP2 644/4885ATXN2 1291/4885FFAR4 472/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ENPP2 644/4885ATXN2 1291/4885FFAR4 472/4885

“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.