SCHEMBL4310672

SCHEMBL4310672

CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 1/20 0.44
OPRD1 P41143 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
GHSR Q92847 1/20 0.41
KLK7 P49862 1/20 0.41
PRMT5 O14744 1/20 0.41
HCRTR2 O43614 1/20 0.40
AHCY P23526 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 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
SCHEMBL4310678 1.00 FFAR1 (0.46) FFAR1ALDH1A1TSHRLMNAMEN1
SCHEMBL5180568 0.89 KDM1A (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL16013926 0.85 FPR3 (0.50) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5155549 0.85 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL16013925 0.85 FPR3 (0.50) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5314984 0.85 FFAR1 (0.52) FFAR1ALDH1A1HRH3
SCHEMBL5168666 0.83 MAPT (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL4324219 0.83 LTA4H (0.48) FFAR1KDM1A
SCHEMBL4324225 0.83 LTA4H (0.48) FFAR1KDM1A
SCHEMBL5152275 0.83 NPC1 (0.46) ALDH1A1TSHRLMNAMEN1KMT2A

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 8 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-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 FFAR1 668/4885ALDH1A1 441/4885TSHR 3119/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S FFAR1 668/4885ALDH1A1 441/4885TSHR 3119/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S FFAR1 668/4885ALDH1A1 441/4885TSHR 3119/4885

“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.