SCHEMBL4318136

SCHEMBL4318136

c1cncc(Oc2ccc(OCC3CCCN3)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.67
CHRNA3 P32297 4/20 0.67
CHRNA7 P36544 2/20 0.67
CHRNA1 P02708 1/20 0.67
CHRNG P07510 1/20 0.67
CHRNB1 P11230 1/20 0.67
CHRNB2 P17787 1/20 0.67
CHRNB4 P30926 1/20 0.67
CHRNA4 P43681 1/20 0.67
CHRND Q07001 1/20 0.67

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
SCHEMBL4318132 1.00 LTA4H (0.67) LTA4HCHRNA3CHRNA7CHRNA1CHRNG
SCHEMBL905201 0.91 CHRNA3 (0.81) CHRNA3CHRNA7CHRNA1CHRNGCHRNB1
SCHEMBL905236 0.91 CHRNA3 (0.81) CHRNA3CHRNA7CHRNA1CHRNGCHRNB1
SCHEMBL3942452 0.91 CHRNA3 (0.81) CHRNA3CHRNA7CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL7840031 0.89 CHRNA3 (0.78) CHRNA3CHRNA7CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL8439827 0.89 CHRNA3 (0.78) CHRNA3CHRNA7CHRNA1CHRNGCHRNB1
SCHEMBL14522987 0.89 CHRNA3 (0.59) LTA4HCHRNA3CHRNA7CHRNA1CHRNG
SCHEMBL13809126 0.89 LTA4H (0.70) LTA4HCHRNA3CHRNA7CHRNA1CHRNG
Hydrochloric Acid SCHEMBL4316096 0.88 LTA4H (0.68) LTA4HCHRNA3CHRNA7CHRNA1CHRNG
Hydrochloric Acid SCHEMBL4316091 0.88 LTA4H (0.68) LTA4HCHRNA3CHRNA7CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
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 1/4885CHRNA3 4170/4885CHRNA7 4123/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885CHRNA3 4170/4885CHRNA7 4123/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885CHRNA3 4170/4885CHRNA7 4123/4885

“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.