SCHEMBL4312286

SCHEMBL4312286

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.54
USP30 Q70CQ3 1/20 0.53
STS P08842 1/20 0.49
PIK3CD O00329 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHEK2 O96017 2/20 0.46
CACNB4 O00305 2/20 0.45
CACNA1A O00555 2/20 0.45
CACNA1G O43497 2/20 0.45
CACNG3 O60359 2/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNB3 P54284 2/20 0.45
CACNA2D1 P54289 2/20 0.45
CACNG7 P62955 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNB1 Q02641 2/20 0.45
CACNG1 Q06432 2/20 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
SCHEMBL4312281 1.00 GPR119 (0.54) GPR119USP30STSPIK3CDMEN1
SCHEMBL21436867 0.96 GPR119 (0.57) GPR119USP30STSPIK3CDMEN1
SCHEMBL2793124 0.89 GPR119 (0.65) GPR119STSMEN1KMT2ACHEK2
SCHEMBL15376614 0.85 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL699609 0.85 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL699608 0.85 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL6189661 0.85 GPR119 (0.58) GPR119USP30PIK3CDCHEK2ALDH1A1
SCHEMBL20179924 0.85 GPR119 (0.58) GPR119USP30PIK3CDKMT2ACHEK2
SCHEMBL31142651 0.85 ALDH1A1 (0.60) GPR119USP30STSPIK3CDALDH1A1
SCHEMBL1990925 0.85 NPC1 (0.55) GPR119USP30PIK3CDMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-09-17 US disclosed
US-7576102-B2 Biaryl substituted nitrogen containing heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2009-08-18 US disclosed
EP-1963261-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-03 EP disclosed
WO-2007073407-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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 (2 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-20090233969-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R GPR119 1988/4885USP30 2744/4885STS 545/4885
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R GPR119 1988/4885USP30 2744/4885STS 545/4885

“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.