SCHEMBL4307103

SCHEMBL4307103

CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
NR4A2 P43354 1/20 0.50
S1PR1 P21453 2/20 0.49
S1PR5 Q9H228 2/20 0.49
PDGFRA P16234 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
PRMT5 O14744 1/20 0.45
PRKD3 O94806 1/20 0.45
CDK7 P50613 1/20 0.45
JAK3 P52333 1/20 0.45
TNK2 Q07912 1/20 0.45

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
SCHEMBL4307098 1.00 MAOB (0.52) MAOBNR4A2S1PR1S1PR5PDGFRA
SCHEMBL4319134 0.89 HRH3 (0.52) MAOBHRH3PRMT5
SCHEMBL4319141 0.89 HRH3 (0.52) MAOBHRH3PRMT5
SCHEMBL4321782 0.87 CHRNB4 (0.48) MAOBHTTHRH3SIRT2PRMT5
SCHEMBL4321779 0.87 CHRNB4 (0.48) MAOBHTTHRH3SIRT2PRMT5
SCHEMBL2895175 0.86 PRMT5 (0.56) PRMT5
SCHEMBL4314170 0.86 PRMT5 (0.56) PRMT5
SCHEMBL4314700 0.86 PRMT5 (0.56) PRMT5
SCHEMBL10132519 0.84 HRH3 (0.52) MAPTHRH3
SCHEMBL4319486 0.84 ALOX5AP (0.47) MAPT

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 7 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
WO-2007040681-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 MAOB 1054/4885NR4A2 688/4885S1PR1 1240/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S MAOB 1054/4885NR4A2 688/4885S1PR1 1240/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S MAOB 1054/4885NR4A2 688/4885S1PR1 1240/4885

“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.