SCHEMBL5335853

SCHEMBL5335853

O=C(NCC1CCN(Cc2ccc(C(=O)O)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.71
CHRM4 P08173 2/20 0.70
MCHR2 Q969V1 1/20 0.58
MCHR1 Q99705 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM1A O60341 2/20 0.55
FAAH O00519 1/20 0.53

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
SCHEMBL5314196 0.86 LTA4H (0.77) LTA4HCHRM4MCHR2MCHR1KMT2A
SCHEMBL18825777 0.82 CHRM4 (1.00) LTA4HCHRM4MCHR2MCHR1
SCHEMBL3045089 0.81 LTA4H (1.00) LTA4HFAAH
SCHEMBL5317933 0.80 LTA4H (0.77) LTA4HCHRM4
SCHEMBL5315667 0.80 LTA4H (0.74) LTA4HCHRM4FAAH
SCHEMBL5334496 0.80 LTA4H (0.61) LTA4HCHRM4MEN1KMT2A
SCHEMBL5317908 0.79 LTA4H (1.00) LTA4HMEN1KMT2AFAAH
SCHEMBL5313965 0.78 LTA4H (0.81) LTA4HCHRM4FAAH
SCHEMBL5333591 0.78 LTA4H (0.71) LTA4HCHRM4FAAH
SCHEMBL5313205 0.78 LTA4H (1.00) LTA4H

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 claimed
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 213/4885MCHR2 3683/4885

“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.