SCHEMBL3597998

SCHEMBL3597998

COC(=O)CN1CCCC1COc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.44
ESR2 Q92731 1/20 0.42
RXFP1 Q9HBX9 1/20 0.39
FAAH O00519 4/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3597992 1.00 LTA4H (0.44) LTA4HESR2RXFP1FAAHGAA
SCHEMBL3589105 0.91 LTA4H (0.48) LTA4HESR2RXFP1FAAHGAA
SCHEMBL3589106 0.91 LTA4H (0.48) LTA4HESR2RXFP1FAAHGAA
SCHEMBL3597008 0.91 LTA4H (0.42) LTA4HESR2FAAH
SCHEMBL3597010 0.91 LTA4H (0.42) LTA4HESR2FAAH
SCHEMBL9968590 0.90 LTA4H (0.56) LTA4HESR2FAAH
SCHEMBL5069931 0.90 LTA4H (0.56) LTA4HESR2FAAH
SCHEMBL3589320 0.90 LTA4H (0.50) LTA4HESR2GAA
SCHEMBL3600750 0.90 LTA4H (0.50) LTA4HESR2GAA
SCHEMBL3589324 0.90 LTA4H (0.50) LTA4HESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963276-B9 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-09-26 EP disclosed
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 EP disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885ESR2 1449/4885RXFP1 4121/4885

“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.