SCHEMBL144902

SCHEMBL144902

O=C(c1sc2cc(F)ccc2c1Cl)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
BCKDK O14874 1/20 0.43
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KDM5A P29375 1/20 0.39
DPP4 P27487 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
HTT P42858 1/20 0.38
TLR3 O15455 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL142482 0.90 MGLL (0.45) MGLLALDH1A1LMNARECQLRAB9A
SCHEMBL145595 0.89 MGLL (0.55) MGLLALDH1A1LMNARECQLCYP1A2
SCHEMBL147191 0.89 MGLL (0.44) MGLLALDH1A1LMNARECQLCYP1A2
SCHEMBL145405 0.79 MGLL (0.45) MGLLKDM5A
SCHEMBL145380 0.79 MGLL (0.47) MGLLKDM5A
SCHEMBL912169 0.76 ALDH1A1 (0.67) MGLLALDH1A1LMNARECQLBCKDK
SCHEMBL912536 0.73 MGLL (0.62) MGLLALDH1A1LMNARECQLBCKDK
SCHEMBL146497 0.70 MGLL (0.49) MGLLALDH1A1LMNARAB9AKDM4E
SCHEMBL143941 0.70 MGLL (0.49) MGLLRAB9AKDM5ADPP4NPC1
SCHEMBL121564 0.70 MGLL (0.51) MGLLKDM5ADPP4

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-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196969-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 1/4885ALDH1A1 636/4885LMNA 1397/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885ALDH1A1 636/4885LMNA 1397/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885ALDH1A1 554/4885LMNA 1760/4885

“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.