SCHEMBL4308614

SCHEMBL4308614

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ LTA4H P09960 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ OPRD1 P41143 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ UCHL1 P09936 1/20 0.41
▸ F2RL3 Q96RI0 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ GABRA5 P31644 1/20 0.40

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
SCHEMBL4308619 1.00 ALOX5AP (0.47) ALOX5APFEN1LTA4HCHRNB2CHRNA7
SCHEMBL4320081 1.00 ALOX5AP (0.47) ALOX5APFEN1LTA4HCHRNB2CHRNA7
SCHEMBL4317028 0.87 ALOX5AP (0.50) ALOX5APFEN1LTA4HCHRNB2CHRNA7
SCHEMBL4317022 0.87 ALOX5AP (0.50) ALOX5APFEN1LTA4HCHRNB2CHRNA7
SCHEMBL4319616 0.87 ALOX5AP (0.50) ALOX5APFEN1LTA4HCHRNB2CHRNA7
SCHEMBL4312717 0.85 ALOX5AP (0.46) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4312714 0.85 ALOX5AP (0.46) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4314065 0.85 ALOX5AP (0.46) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4312721 0.85 ALOX5AP (0.46) ALOX5APFEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4314070 0.85 ALOX5AP (0.46) ALOX5APFEN1CHRNB2CHRNA7CHRNA4

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 ALOX5AP 21/4885FEN1 4133/4885LTA4H 1/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ALOX5AP 21/4885FEN1 4133/4885LTA4H 1/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S ALOX5AP 21/4885FEN1 4133/4885LTA4H 1/4885

“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.

Send feedback