SCHEMBL2889430

SCHEMBL2889430

CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCC#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
DPP4 P27487 2/20 0.42
ALOX5AP P20292 3/20 0.41
FEN1 P39748 1/20 0.41
CHEK2 O96017 1/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
ESRRG P62508 1/20 0.39

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
SCHEMBL2895814 0.90 ALOX5AP (0.44) GPR119ALOX5APFEN1
SCHEMBL604148 0.90 FPR3 (0.51) GPR119FPR3FPR2DPP4ALOX5AP
SCHEMBL604147 0.90 FPR3 (0.51) GPR119FPR3FPR2DPP4ALOX5AP
SCHEMBL2889678 0.90 ALOX5AP (0.44) GPR119ALOX5APFEN1CHEK2
SCHEMBL13290330 0.90 ALOX5AP (0.44) GPR119ALOX5APFEN1CHEK2
SCHEMBL4314074 0.85 ALOX5AP (0.47) GPR119FPR3FPR2DPP4ALOX5AP
SCHEMBL4314068 0.85 ALOX5AP (0.47) GPR119FPR3FPR2DPP4ALOX5AP
SCHEMBL2889418 0.83 GPR119 (0.46) GPR119ALOX5APFEN1CHEK2
SCHEMBL4316987 0.81 GPR119 (0.51) GPR119DPP4ALOX5APFEN1
SCHEMBL2889380 0.80 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 US disclosed
WO-2008019284-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO 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 (1 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-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTB4R2 GPR119 1290/4885FPR3 73/4885FPR2 117/4885

“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.