SCHEMBL5313759

SCHEMBL5313759

O=C(CCNC1CCN(Cc2ccc(C(=O)O)cc2)CC1)Nc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.61
CHRM4 P08173 1/20 0.48
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL5333591 0.93 LTA4H (0.71) LTA4HCHRM4
SCHEMBL5310237 0.92 LTA4H (0.62) LTA4HCHRM4
SCHEMBL5657208 0.91 LTA4H (0.61) LTA4HCHRM4SIGMAR1
SCHEMBL5309936 0.88 LTA4H (0.58) LTA4HCHRM4
SCHEMBL3036812 0.86 LTA4H (0.61) LTA4HCHRM4DRD4SIGMAR1
SCHEMBL5312708 0.85 LTA4H (0.54) LTA4HCHRM4
SCHEMBL5312584 0.85 LTA4H (0.54) LTA4HSIGMAR1
SCHEMBL5310158 0.85 LTA4H (0.56) LTA4HCHRM4
SCHEMBL3039567 0.84 LTA4H (0.64) LTA4HDRD4SIGMAR1MEN1KMT2A
SCHEMBL5661120 0.84 LTA4H (0.55) LTA4HDRD4KMT2A

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 1/4885CHRM4 213/4885DRD4 1389/4885

“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.