SCHEMBL4314280

SCHEMBL4314280

CC(C)(C)OC(=O)N1CCCCC1COc1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
KDM1A O60341 1/20 0.46
ALOX5AP P20292 3/20 0.44
FEN1 P39748 1/20 0.44
PRMT5 O14744 1/20 0.44
LTA4H P09960 2/20 0.44
ABHD6 Q9BV23 2/20 0.43
DAGLA Q9Y4D2 2/20 0.43

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
SCHEMBL4314276 1.00 CHEK2 (0.46) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4312705 0.96 GPR119 (0.48) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4319188 0.96 GPR119 (0.48) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4312709 0.96 GPR119 (0.48) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4307661 0.91 ALOX5AP (0.47) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4318142 0.91 ALOX5AP (0.46) CHEK2GPR119ALOX5APFEN1
SCHEMBL4310640 0.91 ALOX5AP (0.47) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL4318145 0.91 ALOX5AP (0.46) CHEK2GPR119ALOX5APFEN1
SCHEMBL4307665 0.91 ALOX5AP (0.47) CHEK2GPR119KDM1AALOX5APFEN1
SCHEMBL30872589 0.86 ALOX5AP (0.47) CHEK2GPR119KDM1AALOX5APFEN1

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 CHEK2 4517/4885GPR119 2606/4885KDM1A 3693/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CHEK2 4517/4885GPR119 2606/4885KDM1A 3693/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S CHEK2 4517/4885GPR119 2606/4885KDM1A 3693/4885

“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.