SCHEMBL20137045

SCHEMBL20137045

CC(C)(C)OC(=O)CC/C=C/c1cc(C(F)(F)F)ccc1CN1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.50
ABHD6 Q9BV23 3/20 0.42
CYP2D6 P10635 1/20 0.42
PLA2G7 Q13093 1/20 0.41
FAAH O00519 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ENPP2 Q13822 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20137047 1.00 MGLL (0.50) MGLLABHD6CYP2D6PLA2G7FAAH
SCHEMBL20157882 0.93 MGLL (0.54) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL20151859 0.80 MGLL (0.42) MGLLENPP2MEN1KMT2A
SCHEMBL20167289 0.78 MGLL (0.78) MGLLABHD6CYP2D6PLA2G7FAAH
SCHEMBL20168556 0.78 MGLL (0.47) MGLLABHD6CYP2D6PLA2G7FAAH
SCHEMBL20136960 0.76 MGLL (0.52) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL29170866 0.73 MGLL (0.46) MGLLABHD6CYP2D6PLA2G7FAAH
SCHEMBL30395439 0.73 MGLL (0.46) MGLLABHD6CYP2D6PLA2G7FAAH
SCHEMBL20137137 0.72 MGLL (0.64) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL20503399 0.72 MGLL (0.50) MGLLABHD6CYP2D6PLA2G7FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 CN disclosed
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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 (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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL MGLL 3/4885ABHD6 563/4885CYP2D6 3916/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL MGLL 3/4885ABHD6 563/4885CYP2D6 3916/4885

“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.