SCHEMBL145402

SCHEMBL145402

O=C(NC1CN(C2CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1)c1nccs1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.60
SLC6A7 Q99884 1/20 0.44
FAAH O00519 1/20 0.42
KCNH2 Q12809 4/20 0.41
CCR2 P41597 3/20 0.41
DRD4 P21917 3/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.39
TEAD1 P28347 1/20 0.39
MCHR1 Q99705 1/20 0.38
CCRL2 O00421 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
SCHEMBL148315 0.92 MGLL (0.57) MGLLFAAHKCNH2CCR2DRD4
SCHEMBL145001 0.91 MGLL (0.57) MGLLSLC6A7FAAHKCNH2CCR2
SCHEMBL16564451 0.89 MGLL (0.53) MGLLFAAHKCNH2CCR2CCRL2
SCHEMBL144730 0.88 MGLL (0.59) MGLLSLC6A7FAAH
SCHEMBL16564330 0.88 MGLL (0.53) MGLLFAAHKCNH2CCR2CCRL2
SCHEMBL144380 0.87 MGLL (0.54) MGLLSLC6A7FAAHKCNH2CCR2
SCHEMBL16564386 0.86 MGLL (0.61) MGLLFAAHKCNH2CCR2CCRL2
SCHEMBL145770 0.84 MGLL (0.60) MGLLFAAH
SCHEMBL16564522 0.84 MGLL (0.85) MGLLFAAHKCNH2CCR2
SCHEMBL142473 0.84 MGLL (0.55) MGLLFAAHKCNH2CCR2DRD4

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
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885SLC6A7 3894/4885FAAH 86/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885SLC6A7 3894/4885FAAH 86/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885SLC6A7 3446/4885FAAH 79/4885

“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.