SCHEMBL145128

SCHEMBL145128

O=C(NC1CN(C2CN(C(=O)c3ccc4oc(-c5ccccc5)nc4c3)C2)C1)c1nccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.66
HDAC6 Q9UBN7 5/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.40
TNKS O95271 1/20 0.40
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL142962 0.94 MGLL (0.75) MGLLKMT2ANPC1RAB9AFAAH
SCHEMBL911854 0.86 MGLL (0.87) MGLLHDAC6FAAH
SCHEMBL16564499 0.86 MGLL (0.64) MGLLHDAC6MAPTKMT2ANPC1
SCHEMBL16564386 0.84 MGLL (0.61) MGLLHDAC6FAAHHDAC3HDAC1
SCHEMBL16564512 0.83 MGLL (0.61) MGLLPOLBMEN1KMT2ANPC1
SCHEMBL144730 0.83 MGLL (0.59) MGLLALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL148823 0.83 MGLL (0.62) MGLLHDAC6MEN1KMT2ANPC1
SCHEMBL146338 0.81 MGLL (0.56) MGLLALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL145592 0.80 MGLL (0.58) MGLLTNKSFAAH
SCHEMBL146062 0.80 MGLL (0.60) MGLLHDAC6KMT2ANPC1RAB9A

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-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol 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 1/4885HDAC6 465/4885ALDH1A1 636/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885HDAC6 465/4885ALDH1A1 636/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885HDAC6 918/4885ALDH1A1 554/4885

“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.