SCHEMBL21723019

SCHEMBL21723019

CC1C(OCc2ccc(C(F)(F)F)cc2F)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HCRTR1 O43613 8/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL21722995 0.87 TACR1 (0.42) IDO1FFAR1S1PR1PRKXIKBKE
SCHEMBL22462817 0.82 TEAD1 (0.44) IDO1TACR1LIPG
SCHEMBL23149381 0.81 HCRTR1 (0.43) IDO1S1PR1PRKXIKBKES1PR5
SCHEMBL21723025 0.81 IDO1 (0.41) IDO1FFAR1S1PR1PRKXIKBKE
SCHEMBL28986625 0.80 MGLL (0.37) IDO1FFAR1SLC6A4SLC6A2SLC6A3
SCHEMBL19411886 0.79 IDO1 (0.48) IDO1FFAR1S1PR1PRKXIKBKE
SCHEMBL27160732 0.79 IDO1 (0.46) IDO1FFAR1S1PR1PRKXIKBKE
Trifluoroacetic Acid SCHEMBL21723023 0.76 SLC6A4 (0.44) IDO1FFAR1S1PR1PRKXIKBKE
SCHEMBL27160506 0.74 IDO1 (0.39) IDO1FFAR1S1PR1PRKXIKBKE
SCHEMBL28986560 0.74 ENPP2 (0.39) IDO1FFAR1S1PR1PRKXIKBKE

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 10 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
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — US 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 (5 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 3585/4885FFAR1 383/4885S1PR1 2691/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL IDO1 3378/4885FFAR1 201/4885S1PR1 2356/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL IDO1 3714/4885FFAR1 269/4885S1PR1 2647/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL IDO1 3378/4885FFAR1 201/4885S1PR1 2356/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL IDO1 3378/4885FFAR1 201/4885S1PR1 2356/4885

“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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