SCHEMBL4319141

SCHEMBL4319141

CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
SLC6A5 Q9Y345 8/20 0.50
MAOB P27338 2/20 0.48
ALOX5AP P20292 2/20 0.46
PRMT5 O14744 1/20 0.46

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
SCHEMBL4319134 1.00 HRH3 (0.52) HRH3SLC6A5MAOBALOX5APPRMT5
SCHEMBL4319472 0.92 ALOX5AP (0.47) ALOX5AP
SCHEMBL4320534 0.92 ALOX5AP (0.47) ALOX5AP
SCHEMBL4319486 0.92 ALOX5AP (0.47) ALOX5AP
SCHEMBL4314708 0.90 HRH3 (0.48) HRH3MAOBALOX5APPRMT5
SCHEMBL4314715 0.90 HRH3 (0.48) HRH3MAOBALOX5APPRMT5
SCHEMBL13808921 0.90 ALOX5AP (0.48) ALOX5APPRMT5
SCHEMBL4307098 0.89 MAOB (0.52) HRH3MAOBPRMT5
SCHEMBL4307103 0.89 MAOB (0.52) HRH3MAOBPRMT5
SCHEMBL4313056 0.88 ALOX5AP (0.57) HRH3ALOX5APPRMT5

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 HRH3 272/4885SLC6A5 4215/4885MAOB 1054/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HRH3 272/4885SLC6A5 4215/4885MAOB 1054/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HRH3 272/4885SLC6A5 4215/4885MAOB 1054/4885

“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.