SCHEMBL13290299

SCHEMBL13290299

C#CCOc1ccc(N2CCN(CCCC(=O)OC)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 5/20 0.48
TP53 P04637 1/20 0.48
DRD4 P21917 2/20 0.47
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 5/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
HTR1A P08908 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GALR3 O60755 1/20 0.44

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
SCHEMBL2893008 0.93 KMT2A (0.53) KMT2AMEN1MAPTTP53DRD4
SCHEMBL13290296 0.87 HRH3 (0.50) KMT2AMEN1MAPTHRH3DRD2
SCHEMBL2897375 0.81 HTR1A (0.49) KMT2AMEN1MAPTHRH3DRD2
SCHEMBL13290300 0.80 CACNA1G (0.51) KMT2AMEN1MAPTDRD4HSD17B10
SCHEMBL2897377 0.80 KMT2A (0.48) KMT2AMEN1MAPTHRH3DRD2
SCHEMBL2881369 0.80 HTR1A (0.57) KMT2AMEN1MAPTTP53DRD4
SCHEMBL2876290 0.79 GFER (0.51) KMT2AMEN1MAPTDRD4HSD17B10
SCHEMBL2876213 0.79 KMT2A (0.50) KMT2AMEN1MAPTTP53DRD4
SCHEMBL13158495 0.76 DRD2 (0.63) DRD4DRD2HTR2AHTR1A
SCHEMBL5257671 0.75 GFER (0.54) KMT2AMEN1MAPTHSD17B10KDM4E

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-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
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
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 KMT2A 1166/4885MEN1 4867/4885MAPT 4814/4885

“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.