SCHEMBL5317774

SCHEMBL5317774

CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.68
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
DGAT1 O75907 3/20 0.54
CYP3A4 P08684 1/20 0.51
SOAT1 P35610 1/20 0.51
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MCHR1 Q99705 1/20 0.47

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
SCHEMBL5310022 0.93 LTA4H (0.61) LTA4HKDM4EPKMDGAT1CYP3A4
SCHEMBL5317785 0.87 LTA4H (0.56) LTA4HDGAT1
SCHEMBL5660796 0.87 MAPT (0.64) LTA4HKDM4EPKMALDH1A1GAA
SCHEMBL5314749 0.86 LTA4H (0.76) LTA4HKDM4EPKMALDH1A1MAPT
SCHEMBL5661221 0.83 LTA4H (0.47) LTA4HKDM4EPKMDGAT1CYP3A4
SCHEMBL5311020 0.81 LTA4H (0.77) LTA4HKDM4EPKM
SCHEMBL5313205 0.81 LTA4H (1.00) LTA4HKDM4EPKM
SCHEMBL5661210 0.81 LTA4H (0.66) LTA4HKDM4EPKMGAA
SCHEMBL5658663 0.81 KDM4E (0.79) LTA4HKDM4EPKMALDH1A1GAA
SCHEMBL5333260 0.79 LTA4H (0.57) LTA4HKDM4EPKMALDH1A1GAA

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KDM4E 1019/4885PKM 4335/4885

“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.