SCHEMBL144380

SCHEMBL144380

O=C(NC1CN(C2CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)s4)cc3)C2)C1)c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.54
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
FAAH O00519 1/20 0.38
RBP4 P02753 1/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A7 Q99884 4/20 0.36
TNKS O95271 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34

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
SCHEMBL145402 0.87 MGLL (0.60) MGLLCCR2KCNH2FAAHDRD4
SCHEMBL145001 0.85 MGLL (0.57) MGLLCCR2KCNH2FAAHDRD4
SCHEMBL913138 0.85 MGLL (0.54) MGLLFAAHRBP4SLC6A7
SCHEMBL14647954 0.85 MGLL (0.54) MGLLFAAHRBP4SLC6A7
SCHEMBL144730 0.84 MGLL (0.59) MGLLFAAHSLC6A7TNKS
SCHEMBL148315 0.81 MGLL (0.57) MGLLCCR2KCNH2FAAHDRD4
SCHEMBL149349 0.81 MGLL (0.59) MGLLFAAHSLC6A7TNKS
SCHEMBL145770 0.80 MGLL (0.60) MGLLFAAHTNKSABL1BCR
SCHEMBL142473 0.80 MGLL (0.55) MGLLCCR2KCNH2FAAHDRD4
SCHEMBL144069 0.78 MGLL (0.56) MGLLFAAHSLC6A7TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-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 1/4885CCR2 3209/4885KCNH2 1168/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885CCR2 3209/4885KCNH2 1168/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885CCR2 3960/4885KCNH2 880/4885

“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.