SCHEMBL22462939

SCHEMBL22462939

Fc1cc(C(F)(F)F)ccc1CCC1CNC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.47
▸ IDO1 P14902 2/20 0.45
▸ SLC6A4 P31645 4/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL29511868 1.00 DAO (0.47) DAOIDO1SLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL25326405 0.91 SLC6A4 (0.46) DAOIDO1SLC6A4SLC6A2SLC6A3
SCHEMBL25944704 0.88 HTR2A (0.38) DAOIDO1SLC6A4SLC6A2SLC6A3
SCHEMBL21723030 0.83 HTR2A (0.43) DAOSLC6A4SLC6A2SLC6A3MGLL
SCHEMBL29712505 0.83 HTR2A (0.43) DAOSLC6A4SLC6A2SLC6A3MGLL
SCHEMBL25944648 0.78 IDO1 (0.52) DAOIDO1SLC6A4SLC6A2SLC6A3
SCHEMBL29712486 0.78 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL23091783 0.78 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL29712487 0.78 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL31532328 0.77 MGLL (0.46) DAOIDO1SLC6A4SLC6A2SLC6A3

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
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 — — US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US 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
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 — — US disclosed
US-20220106328-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-04-07 — — US disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US 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
WO-2021058444-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL DAO 1306/4885IDO1 3544/4885SLC6A4 4451/4885
US-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY DAO 1558/4885IDO1 1398/4885SLC6A4 4365/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL DAO 1373/4885IDO1 3378/4885SLC6A4 4796/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL DAO 1373/4885IDO1 3378/4885SLC6A4 4796/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY DAO 1558/4885IDO1 1398/4885SLC6A4 4365/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL DAO 1116/4885IDO1 3714/4885SLC6A4 4776/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL DAO 1373/4885IDO1 3378/4885SLC6A4 4796/4885
US-20220106328-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 DAO 1487/4885IDO1 797/4885SLC6A4 4083/4885
US-20210094972-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP1A1 DAO 1487/4885IDO1 797/4885SLC6A4 4083/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL DAO 1373/4885IDO1 3378/4885SLC6A4 4796/4885

“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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