SCHEMBL13809307

SCHEMBL13809307

CCc1ccc(OCC2CCCN2CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.64
HRH3 Q9Y5N1 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
FAAH O00519 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL13809308 1.00 LTA4H (0.64) LTA4HHRH3CHRNB2CHRNA5CHRNA7
SCHEMBL4313018 0.86 LTA4H (0.63) LTA4HHRH3FAAH
SCHEMBL4313024 0.86 LTA4H (0.63) LTA4HHRH3FAAH
SCHEMBL14098951 0.82 LTA4H (0.57) LTA4HHRH3CHRNB2
SCHEMBL13809008 0.81 LTA4H (0.93) LTA4H
SCHEMBL13808885 0.81 DRD2 (0.46) HRH3
SCHEMBL13808884 0.81 DRD2 (0.46) HRH3
Hydrochloric Acid SCHEMBL4319529 0.81 LTA4H (0.91) LTA4H
Hydrochloric Acid SCHEMBL4319538 0.81 LTA4H (0.91) LTA4H
SCHEMBL13809041 0.79 LTA4H (0.69) LTA4HHRH3CHRNB2

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
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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 (3 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885HRH3 272/4885CHRNB2 4446/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885HRH3 272/4885CHRNB2 4446/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885HRH3 272/4885CHRNB2 4446/4885

“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.