SCHEMBL13051178

SCHEMBL13051178

CC(C)(C)OC(=O)N1CC2CC1CN2c1c[nH]c2cc(Oc3nc4ccccc4s3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.48
PARP1 P09874 1/20 0.45
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL743436 0.86 LTA4H (0.61) LTA4HPARP1EPHX2
SCHEMBL13072209 0.86 LTA4H (0.61) LTA4HPARP1EPHX2
SCHEMBL4841734 0.76 PARP1 (0.51) LTA4HPARP1SMN1; SMN2HDAC1GPR119
SCHEMBL744869 0.76 LTA4H (0.73) LTA4HEPHX2KCNH2
SCHEMBL744870 0.76 LTA4H (0.73) LTA4HEPHX2KCNH2
SCHEMBL15252234 0.76 LTA4H (0.54) LTA4HEPHX2KCNH2
SCHEMBL1904005 0.76 LTA4H (0.61) LTA4HKCNH2
SCHEMBL1904009 0.76 LTA4H (0.61) LTA4HKCNH2
SCHEMBL1904007 0.76 LTA4H (0.61) LTA4HKCNH2
SCHEMBL742274 0.75 LTA4H (0.48) LTA4HEPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (1 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885PARP1 4446/4885EPHX2 63/4885

“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.