SCHEMBL1906229

SCHEMBL1906229

CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.61
KCNH2 Q12809 5/20 0.54
CXCR6 O00574 2/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL12222773 1.00 LTA4H (0.61) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL1008699 0.88 LTA4H (0.76) LTA4HKCNH2MEN1KMT2AMCHR1
SCHEMBL1905810 0.86 KMT2A (0.58) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL12222541 0.86 KMT2A (0.58) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL12240838 0.86 KMT2A (0.58) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL13844751 0.82 CXCR6 (0.51) LTA4HKCNH2CXCR6MEN1KMT2A
SCHEMBL12222587 0.77 CXCR6 (0.53) LTA4HCXCR6MEN1KMT2A
SCHEMBL1902462 0.77 CXCR6 (0.53) LTA4HCXCR6MEN1KMT2A
SCHEMBL12222605 0.77 LTA4H (0.76) LTA4HKCNH2MEN1KMT2A
SCHEMBL12240841 0.77 LTA4H (0.76) LTA4HKCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 US claimed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 US 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 1/4885KCNH2 2410/4885CXCR6 922/4885
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 2410/4885CXCR6 922/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KCNH2 2410/4885CXCR6 922/4885

“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.