SCHEMBL707233

SCHEMBL707233

O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC(N2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.82
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.44
HTR2B P41595 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3776406 0.91 MGLL (1.00) MGLLRAB9AALDH1A1MEN1KMT2A
SCHEMBL3780279 0.83 MGLL (0.57) MGLLALDH1A1MEN1KMT2AKDM4E
SCHEMBL3766177 0.79 MEN1 (0.62) MGLLALDH1A1MEN1KMT2AKDM4E
SCHEMBL691774 0.77 MGLL (0.65) MGLLRAB9AALDH1A1MEN1KMT2A
SCHEMBL24163201 0.77 MGLL (0.65) MGLLRAB9AMEN1KMT2AHPGD
SCHEMBL3777600 0.76 ALDH1A1 (0.49) MGLLALDH1A1MEN1KMT2AKDM4E
SCHEMBL3774353 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3781064 0.74 MEN1 (0.53) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL15703668 0.73 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3770825 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283127-B1 PROTEIN ENGINEERING OF MONOACYLGLYCEROL LIPASE (MGLL) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
US-8729064-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-20 US disclosed
US-8729064-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-20 US disclosed
US-8729064-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-20 US disclosed
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-07 US disclosed
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-07 US disclosed
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-07 US disclosed
US-8435977-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
US-8435977-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
US-8435977-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
US-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124122-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124122-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-2180048-A1 Alternative crystal form of monoacylglycerol lipase (MGLL) Janssen Pharmaceutica, N.V. (BE) 2010-04-28 EP disclosed
US-20100093009-A1 ALTERNATIVE CRYSTAL FORM OF MONOACYLGLYCEROL LIPASE (MGLL) SCHUBERT CARSTEN 2010-04-15 US disclosed
US-20090269784-A1 PROTEIN ENGINEERING OF MONOACYLGLYCEROL LIPASE (MGLL) JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090269785-A1 CRYSTAL STRUCTURE OF MONOACYLGLYCEROL LIPASE (MGLL) JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
US-20090269785-A1 CRYSTAL STRUCTURE OF MONOACYLGLYCEROL LIPASE (MGLL) JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009132267-A1 CRYSTAL STRUCTURE OF MONOACYLGLYCEROL LIPASE (MGLL) JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO 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-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC MGLL 1/4885RAB9A 1813/4885ALDH1A1 321/4885
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC MGLL 1/4885RAB9A 1813/4885ALDH1A1 321/4885

“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.