SCHEMBL9968659

SCHEMBL9968659

CN(CCCOc1ccc(-n2nc3ccccc3c2Cl)cc1)CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.52
ESR2 Q92731 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
ACKR3 P25106 1/20 0.41

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
Hydrochloric Acid SCHEMBL3587233 0.99 LTA4H (0.51) LTA4HESR2CYSLTR2CYSLTR1HRH3
SCHEMBL3595798 0.97 LTA4H (0.48) LTA4HESR2CYSLTR2CYSLTR1FABP3
SCHEMBL9968720 0.96 LTA4H (0.57) LTA4HESR2HRH3
Hydrochloric Acid SCHEMBL3596362 0.95 LTA4H (0.56) LTA4HESR2HRH3
SCHEMBL9968626 0.91 LTA4H (0.50) LTA4HESR2
Hydrochloric Acid SCHEMBL3605790 0.90 LTA4H (0.49) LTA4HESR2
SCHEMBL3600020 0.89 LTA4H (0.52) LTA4HESR2CYSLTR2CYSLTR1HRH3
SCHEMBL3587820 0.88 LTA4H (0.50) LTA4HESR2
SCHEMBL3591667 0.87 LTA4H (0.48) LTA4HESR2CYSLTR2CYSLTR1HRH3
SCHEMBL3596291 0.83 LTA4H (0.48) LTA4HESR2

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 7 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-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
WO-2007073405-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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 1449/4885CYSLTR2 6/4885

“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.