SCHEMBL21722976

SCHEMBL21722976

Fc1cccc(C(F)(F)F)c1COCC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.42
▸ SLC6A2 P23975 3/20 0.42
▸ CHRNB2 P17787 3/20 0.38
▸ CHRNA4 P43681 3/20 0.38
▸ SLC6A3 Q01959 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HTR2A P28223 6/20 0.34
▸ HTR2C P28335 6/20 0.34
▸ HTR2B P41595 6/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ P2RX7 Q99572 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
Hydrochloric Acid SCHEMBL30700643 0.79 SLC6A2 (0.43) SLC6A4SLC6A2CHRNB2CHRNA4SLC6A3
SCHEMBL23091792 0.78 SLC6A2 (0.44) SLC6A4SLC6A2CHRNB2CHRNA4TAAR1
SCHEMBL29712492 0.78 SLC6A2 (0.44) SLC6A4SLC6A2CHRNB2CHRNA4TAAR1
SCHEMBL19055379 0.74 SLC6A2 (0.39) SLC6A4SLC6A2TAAR1
SCHEMBL21722856 0.73 GPR119 (0.43) FFAR1
Trifluoroacetic Acid SCHEMBL21722880 0.73 SLC6A4 (0.41) SLC6A4SLC6A2CHRNB2CHRNA4SLC6A3
SCHEMBL17055966 0.71 SLC6A2 (0.41) SLC6A4SLC6A2TAAR1P2RX7
SCHEMBL1714737 0.71 IDO1 (0.55) SLC6A4SLC6A2
SCHEMBL25944648 0.69 IDO1 (0.52) SLC6A4SLC6A2CHRNB2CHRNA4SLC6A3
Hydrochloric Acid SCHEMBL1716041 0.69 IDO1 (0.56) SLC6A4SLC6A2

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 15 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
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 — — EP disclosed
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
CN-112867720-A Novel heterocyclic compounds as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2021-05-28 — — CN 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 (7 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 SLC6A4 4860/4885SLC6A2 4793/4885CHRNB2 4415/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL SLC6A4 4451/4885SLC6A2 4083/4885CHRNB2 2104/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL SLC6A4 4796/4885SLC6A2 4730/4885CHRNB2 3838/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL SLC6A4 4796/4885SLC6A2 4730/4885CHRNB2 3838/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL SLC6A4 4776/4885SLC6A2 4690/4885CHRNB2 3749/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL SLC6A4 4796/4885SLC6A2 4730/4885CHRNB2 3838/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL SLC6A4 4796/4885SLC6A2 4730/4885CHRNB2 3838/4885

“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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