SCHEMBL4318965

SCHEMBL4318965

COC(=O)CCN1CCCC1COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.78
TRPV6 Q9H1D0 1/20 0.47
FFAR1 O14842 1/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4318962 1.00 LTA4H (0.78) LTA4HTRPV6FFAR1CHRNB2CHRNA5
SCHEMBL4446809 0.97 LTA4H (0.78) LTA4HTRPV6FFAR1SMN1; SMN2L3MBTL1
SCHEMBL4446811 0.97 LTA4H (0.78) LTA4HTRPV6FFAR1SMN1; SMN2L3MBTL1
SCHEMBL4313972 0.94 LTA4H (0.79) LTA4HTRPV6FFAR1CHRNB2CHRNA5
SCHEMBL4314195 0.94 LTA4H (0.79) LTA4HTRPV6FFAR1CHRNB2CHRNA5
SCHEMBL4313966 0.94 LTA4H (0.79) LTA4HTRPV6FFAR1CHRNB2CHRNA5
SCHEMBL4310651 0.91 LTA4H (0.79) LTA4HTRPV6FFAR1HRH3
SCHEMBL4310646 0.91 LTA4H (0.79) LTA4HTRPV6FFAR1HRH3
SCHEMBL13809016 0.88 LTA4H (1.00) LTA4HTRPV6FFAR1
Hydrochloric Acid SCHEMBL4312266 0.87 LTA4H (0.98) LTA4HTRPV6FFAR1

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 1/4885TRPV6 1775/4885FFAR1 668/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885TRPV6 1775/4885FFAR1 668/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885TRPV6 1775/4885FFAR1 668/4885

“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.