SCHEMBL145077

SCHEMBL145077

O=C(c1ccc2nc(-c3cccc(C(F)(F)F)c3)oc2c1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.53
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 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
SCHEMBL146126 0.90 MGLL (0.56) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL144389 0.85 MGLL (0.51) MGLLNPC1RAB9A
SCHEMBL147415 0.83 MGLL (0.54) MGLLNPC1RAB9APOLB
SCHEMBL912427 0.81 MGLL (0.65) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL141938 0.77 MGLL (0.54) MGLLKMT2AMEN1SCN1ASCN5A
SCHEMBL713476 0.75 MGLL (0.80) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL698891 0.75 MGLL (0.80) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL16564512 0.74 MGLL (0.61) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL142293 0.74 MGLL (0.60) MGLLSCN1ASCN5ASCN9A
SCHEMBL121298 0.74 MGLL (0.58) MGLLKMT2AMEN1POLBSCN1A

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 1/4885NPC1 318/4885RAB9A 776/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885NPC1 318/4885RAB9A 776/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885NPC1 352/4885RAB9A 944/4885

“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.