SCHEMBL1906238

SCHEMBL1906238

CS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(Oc2nc3cccc(F)c3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.49
HTR1A P08908 11/20 0.44
HTR7 P34969 11/20 0.44
DRD2 P14416 3/20 0.44
ADRA1D P25100 3/20 0.44
HTR2A P28223 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
HTR6 P50406 3/20 0.44
KCNH2 Q12809 2/20 0.40

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
SCHEMBL12223031 1.00 LTA4H (0.49) LTA4HHTR1AHTR7DRD2ADRA1D
SCHEMBL12222918 0.85 LTA4H (0.42) LTA4HHTR1AHTR7KCNH2
SCHEMBL1904785 0.85 LTA4H (0.42) LTA4HHTR1AHTR7KCNH2
SCHEMBL12265719 0.85 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12223114 0.85 LTA4H (0.55) LTA4HKCNH2
SCHEMBL1902111 0.85 LTA4H (0.55) LTA4HKCNH2
SCHEMBL1907880 0.83 LTA4H (0.51) LTA4HHTR1AHTR7DRD2ADRA1D
SCHEMBL12244515 0.83 LTA4H (0.51) LTA4HHTR1AHTR7DRD2ADRA1D
SCHEMBL12223121 0.83 LTA4H (0.51) LTA4HHTR1AHTR7DRD2ADRA1D
SCHEMBL12223060 0.80 LTA4H (0.51) LTA4HHTR1AHTR7DRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US claimed
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
US-8367719-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US disclosed
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase Janseen Pharmaceutical NV 2011-10-27 US disclosed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US disclosed
US-7935725-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-03 US disclosed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885HTR1A 1935/4885HTR7 1631/4885
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885HTR1A 1935/4885HTR7 1631/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885HTR1A 1935/4885HTR7 1631/4885

“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.