SCHEMBL14877181

SCHEMBL14877181

O=C(c1ccc2nc(-c3ccccc3)oc2c1)N1CC(C2CCN(C(=O)c3cscn3)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.79
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 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
SCHEMBL14877277 1.00 MGLL (0.79) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL912654 0.88 MGLL (1.00) MGLL
SCHEMBL911371 0.88 MGLL (1.00) MGLL
SCHEMBL14877432 0.83 MGLL (0.79) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL2731418 0.83 MGLL (0.79) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL14877265 0.82 MGLL (0.52) MGLLKMT2A
SCHEMBL14877254 0.82 MGLL (0.54) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL14877255 0.82 MGLL (0.54) MGLLNPC1RAB9AKMT2AHSP90AA1
SCHEMBL910988 0.81 MGLL (0.87) MGLLNPC1RAB9A
SCHEMBL24163154 0.79 MGLL (0.62) MGLLNPC1RAB9AKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 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-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MGLL 3/4885NPC1 308/4885RAB9A 358/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885NPC1 288/4885RAB9A 353/4885

“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.