SCHEMBL21381972

SCHEMBL21381972

CCOC(=O)CC(c1ccc(F)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21384665 0.85 MMP13 (0.48) ALDH1A1KDM4EMAPTGAAHTT
SCHEMBL5705861 0.82 GPR119 (0.46) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL23211992 0.80 CACNA1B (0.44) CACNA1BCACNA2D1CACNB1CACNA1COPRM1
SCHEMBL23211900 0.79 CACNA1B (0.48) CACNA1BCACNA2D1CACNB1CACNA1CALDH1A1
SCHEMBL5705841 0.77 GPR119 (0.42) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL23211958 0.75 CACNA1B (0.40) CACNA1BCACNA2D1CACNB1CACNA1COPRM1
SCHEMBL5940502 0.75 MMP13 (0.52) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL21381650 0.75 SLC6A3 (0.51) CACNA1BCACNA2D1CACNB1CACNA1CMAPT
SCHEMBL23212057 0.75 CACNA1B (0.43) CACNA1BCACNA2D1CACNB1CACNA1CALDH1A1
SCHEMBL4395343 0.75 IDO1 (0.47) CACNA1BCACNA2D1CACNB1CACNA1C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 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 (2 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CACNA1B 3502/4885CACNA2D1 2670/4885CACNB1 3739/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CACNA1B 3502/4885CACNA2D1 2670/4885CACNB1 3739/4885

“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.