SCHEMBL146398

SCHEMBL146398

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N1CC(N2CC(N3Cc4scnc4C3=O)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
MCHR1 Q99705 3/20 0.32
MGLL Q99685 3/20 0.32
SLC6A7 Q99884 1/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
KCNH2 Q12809 1/20 0.32
FASN P49327 1/20 0.32
PAX8 Q06710 2/20 0.31
KDM1A O60341 1/20 0.31
BTK Q06187 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL146463 0.93 RORB (0.38) KDM4ELMNAHTTSMN1; SMN2RXRA
SCHEMBL143988 0.79 MGLL (0.48) MGLLCYP3A4
SCHEMBL145116 0.78 MGLL (0.58) MGLL
SCHEMBL16564451 0.73 MGLL (0.53) KDM4ELMNAHTTSMN1; SMN2MGLL
SCHEMBL122453 0.70 MGLL (0.57) MGLL
SCHEMBL121537 0.67 FPR2 (0.38) KDM4E
SCHEMBL16564445 0.67 MGLL (0.51) MGLLSLC6A7KCNH2
SCHEMBL912061 0.67 MGLL (0.57) KDM4ELMNAHTTSMN1; SMN2MGLL
SCHEMBL912740 0.67 MGLL (0.51) MGLLSLC6A7
SCHEMBL912189 0.67 MGLL (0.57) KDM4ELMNAHTTSMN1; SMN2MGLL

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 4 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-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 (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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL KDM4E 2642/4885LMNA 1397/4885HTT 2435/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KDM4E 1848/4885LMNA 1760/4885HTT 2663/4885

“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.