SCHEMBL21723029

SCHEMBL21723029

O=C(O)N1CC(/C=C/c2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ DPP4 P27487 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL22462807 1.00 CYP1A1 (0.42) CYP1A1CYP1B1DPP4DPP9DPP7
SCHEMBL27400930 0.86 TEAD1 (0.45) CYP1A1CYP1B1HRH4
SCHEMBL22462773 0.86 NOTUM (0.35) CYP1A1CYP1B1CES2GRIN2BNOTUM
SCHEMBL21722804 0.84 NOTUM (0.36) HRH4LIPGCES2NOTUM
SCHEMBL29511830 0.83 RORC (0.43) CYP1A1CYP1B1RORC
SCHEMBL22462815 0.83 RORC (0.43) CYP1A1CYP1B1RORC
SCHEMBL23091781 0.82 NFE2L2 (0.39) HRH4MIFGRIN2B
SCHEMBL22462808 0.82 NFE2L2 (0.39) HRH4MIFGRIN2B
SCHEMBL21381915 0.80 CYP1A2 (0.49) CYP1A1CYP1B1
Trifluoroacetic Acid SCHEMBL30835912 0.79 CYP1A1 (0.41) CYP1A1CYP1B1DPP4DPP9DPP7

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 14 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
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO 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
CN-112867720-A Novel heterocyclic compounds as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2021-05-28 — — CN disclosed
US-20210094972-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US disclosed
CN-112469724-A Novel heterocyclic compounds as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2021-03-09 — — CN disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — US 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 (6 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 CYP1A1 328/4885CYP1B1 283/4885DPP4 661/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL CYP1A1 138/4885CYP1B1 99/4885DPP4 430/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL CYP1A1 196/4885CYP1B1 159/4885DPP4 420/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL CYP1A1 138/4885CYP1B1 99/4885DPP4 430/4885
US-20210094972-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 CYP1A1 3/4885CYP1B1 1/4885DPP4 3554/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL CYP1A1 138/4885CYP1B1 99/4885DPP4 430/4885

“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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