SCHEMBL3594404

SCHEMBL3594404

c1ccc2c(c1)cnn2-c1ccc(OCC2CCCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
LTA4H P09960 11/20 0.53
CHRNA3 P32297 2/20 0.50

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
SCHEMBL3594400 1.00 CHRNB2 (0.56) CHRNB2CHRNA4LTA4HCHRNA3
SCHEMBL7901523 0.74 LTA4H (0.79) LTA4HCHRNA3
SCHEMBL4155746 0.74 LTA4H (0.79) LTA4HCHRNA3
SCHEMBL5332805 0.74 LTA4H (0.79) LTA4HCHRNA3
SCHEMBL10029394 0.74 LTA4H (0.60) LTA4HCHRNA3
SCHEMBL10029398 0.74 LTA4H (0.60) LTA4HCHRNA3
SCHEMBL3591384 0.73 LTA4H (0.52) LTA4HCHRNA3
SCHEMBL13436360 0.73 LTA4H (0.51) LTA4HCHRNA3
SCHEMBL3591768 0.73 LTA4H (0.52) LTA4HCHRNA3
SCHEMBL3591386 0.73 LTA4H (0.52) LTA4HCHRNA3

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 CHRNB2 3387/4885CHRNA4 1984/4885LTA4H 1/4885

“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.