SCHEMBL2895814

SCHEMBL2895814

CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCC#Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
GPR119 Q8TDV5 2/20 0.43
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
FEN1 P39748 1/20 0.42
PRMT5 O14744 1/20 0.42
KDM1A O60341 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL2889430 0.90 GPR119 (0.44) ALOX5APGPR119FEN1
SCHEMBL2889678 0.89 ALOX5AP (0.44) ALOX5APGPR119FEN1PRMT5
SCHEMBL13290330 0.89 ALOX5AP (0.44) ALOX5APGPR119FEN1PRMT5
SCHEMBL27936838 0.87 ABHD6 (0.50) ALOX5APGPR119CHRNB2CHRNB4CHRNA3
SCHEMBL938055 0.87 ABHD6 (0.50) ALOX5APGPR119CHRNB2CHRNB4CHRNA3
SCHEMBL938053 0.87 ABHD6 (0.50) ALOX5APGPR119CHRNB2CHRNB4CHRNA3
SCHEMBL4324225 0.86 LTA4H (0.48) ALOX5APGPR119KDM1AABHD6DAGLA
SCHEMBL4324219 0.86 LTA4H (0.48) ALOX5APGPR119KDM1AABHD6DAGLA
SCHEMBL2889418 0.84 GPR119 (0.46) ALOX5APGPR119FEN1KDM1A
SCHEMBL4318335 0.83 GPR119 (0.49) ALOX5APGPR119CHRNB4CHRNA3FEN1

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 ALOX5AP 17/4885GPR119 1290/4885CHRNB1 1270/4885

“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.