SCHEMBL4307759

SCHEMBL4307759

CC(C)(C)OC(=O)N1CCCC1COc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALOX5AP P20292 2/20 0.47
CHEK2 O96017 1/20 0.45
F2RL3 Q96RI0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 4/20 0.42
AHCY P23526 2/20 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
SCHEMBL4307748 1.00 GPR119 (0.48) GPR119L3MBTL1ALOX5APCHEK2F2RL3
SCHEMBL4314060 0.90 F2RL3 (0.49) GPR119L3MBTL1CHEK2F2RL3
SCHEMBL4314056 0.90 F2RL3 (0.49) GPR119L3MBTL1CHEK2F2RL3
SCHEMBL4312953 0.88 LTA4H (0.52) LTA4H
SCHEMBL4312959 0.88 LTA4H (0.52) LTA4H
SCHEMBL4319104 0.83 LTA4H (0.58) GPR119ALOX5APALDH1A1LTA4H
SCHEMBL990496 0.83 LTA4H (0.58) GPR119ALOX5APALDH1A1LTA4H
SCHEMBL4324159 0.83 LTA4H (0.58) GPR119ALOX5APALDH1A1LTA4H
SCHEMBL6536147 0.83 ALOX5AP (0.57) GPR119ALOX5APALDH1A1LTA4H
SCHEMBL6535662 0.83 ALOX5AP (0.57) GPR119ALOX5APALDH1A1LTA4H

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 9 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
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO 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 GPR119 2606/4885L3MBTL1 1534/4885ALOX5AP 21/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S GPR119 2606/4885L3MBTL1 1534/4885ALOX5AP 21/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S GPR119 2606/4885L3MBTL1 1534/4885ALOX5AP 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.