SCHEMBL21722897

SCHEMBL21722897

O=C(O)N1CC(CSc2ccc(C(F)(F)F)cc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
FKBP1A P62942 1/20 0.40
MC4R P32245 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RBP4 P02753 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
SCHEMBL21722876 0.85 GPR119 (0.46) MC4RMAPTPDK2
SCHEMBL21722788 0.81 PPARD (0.37) PPARDFKBP1AMC4RMRGPRX4KMT2A
SCHEMBL22462926 0.81 ALDH1A1 (0.38) PPARDFKBP1AMRGPRX4LMNAMAPT
Trifluoroacetic Acid SCHEMBL21722787 0.80 SLC6A2 (0.42) PPARDFKBP1AALDH1A1KDM4ETDP1
SCHEMBL21723055 0.76 MGLL (0.52) MRGPRX4RBP4
SCHEMBL22462836 0.75 TRPV4 (0.45) MRGPRX4KMT2AALDH1A1TRPV4
SCHEMBL31379711 0.74 MGLL (0.67)
SCHEMBL21722948 0.74 MRGPRX4 (0.39) MRGPRX4LMNAMAPTKMT2APDK2
SCHEMBL22462898 0.74 MRGPRX4 (0.39) MRGPRX4LMNAMAPTKMT2APDK2
SCHEMBL1121767 0.73 CES2 (0.37) ALDH1A1KDM4ECES2RBP4

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-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
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 (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 PPARD 1777/4885FKBP1A 3153/4885MC4R 2205/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL PPARD 911/4885FKBP1A 3462/4885MC4R 2358/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL PPARD 901/4885FKBP1A 3750/4885MC4R 2282/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL PPARD 911/4885FKBP1A 3462/4885MC4R 2358/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL PPARD 911/4885FKBP1A 3462/4885MC4R 2358/4885

“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.