SCHEMBL3768422

SCHEMBL3768422

O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RBP4 P02753 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 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
SCHEMBL699201 0.93 MGLL (0.51) MGLLFAAHLMNAPOLB
SCHEMBL3783426 0.90 MGLL (0.56) MGLLFAAH
SCHEMBL15949461 0.88 MGLL (0.50) MGLLFAAHHDAC1HDAC6TP53
SCHEMBL15949245 0.87 MGLL (0.49) MGLLFAAHTP53
SCHEMBL6840197 0.86 MGLL (0.51) MGLLFAAHALDH1A1NPSR1
SCHEMBL693764 0.85 MGLL (0.53) MGLLFAAHALDH1A1LMNAPDK1
SCHEMBL699681 0.85 MGLL (0.59) MGLLFAAHALDH1A1
SCHEMBL3776534 0.85 MGLL (0.52) MGLLFAAH
SCHEMBL3768768 0.85 MGLL (0.55) MGLLFAAHRBP4
SCHEMBL14648244 0.85 MGLL (0.52) MGLLFAAHALDH1A1LMNAPDK1

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
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (1 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-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 5/4885FAAH 104/4885ALDH1A1 364/4885

“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.