SCHEMBL4314893

SCHEMBL4314893

CC(C)(C)OC(=O)CN1CCCC1COc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.68
FFAR1 O14842 1/20 0.46
ALOX5AP P20292 2/20 0.44
CASP3 P42574 1/20 0.43
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 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
SCHEMBL4314887 1.00 LTA4H (0.68) LTA4HFFAR1ALOX5APCASP3CHRNB1
SCHEMBL4316703 0.97 LTA4H (0.73) LTA4HFFAR1ALOX5APCASP3
SCHEMBL4316696 0.97 LTA4H (0.73) LTA4HFFAR1ALOX5APCASP3
SCHEMBL4320294 0.85 LTA4H (0.75) LTA4HFFAR1
SCHEMBL4320300 0.85 LTA4H (0.75) LTA4HFFAR1
SCHEMBL13809008 0.84 LTA4H (0.93) LTA4HFFAR1
SCHEMBL990496 0.84 LTA4H (0.58) LTA4HFFAR1ALOX5AP
SCHEMBL4319104 0.84 LTA4H (0.58) LTA4HFFAR1ALOX5AP
SCHEMBL4324159 0.84 LTA4H (0.58) LTA4HFFAR1ALOX5AP
Hydrochloric Acid SCHEMBL4319529 0.83 LTA4H (0.91) LTA4HFFAR1

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 1/4885FFAR1 668/4885ALOX5AP 21/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885FFAR1 668/4885ALOX5AP 21/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885FFAR1 668/4885ALOX5AP 21/4885

“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.