SCHEMBL20137091

SCHEMBL20137091

O=C(OCOc1c(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)cccc1C(F)(F)F)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 19/20 0.67
PLA2G7 Q13093 4/20 0.52
ABHD6 Q9BV23 4/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL28699405 0.89 MGLL (0.68) MGLLPLA2G7ABHD6
SCHEMBL20137036 0.87 MGLL (0.68) MGLLPLA2G7ABHD6
SCHEMBL20136974 0.87 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20137069 0.85 MGLL (0.66) MGLLPLA2G7ABHD6
SCHEMBL20137130 0.83 MGLL (0.71) MGLLPLA2G7ABHD6
SCHEMBL20137134 0.83 MGLL (0.67) MGLLPLA2G7ABHD6
SCHEMBL28708460 0.82 MGLL (0.72) MGLLPLA2G7ABHD6
SCHEMBL20137017 0.81 MGLL (0.65) MGLLPLA2G7ABHD6
SCHEMBL20136992 0.80 MGLL (0.71) MGLLPLA2G7ABHD6
SCHEMBL20136949 0.80 MGLL (0.69) MGLLPLA2G7ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US 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 3/4885PLA2G7 269/4885ABHD6 563/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL MGLL 3/4885PLA2G7 269/4885ABHD6 563/4885

“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.