SCHEMBL2893008

SCHEMBL2893008

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HTR1A P08908 1/20 0.50
MAPT P10636 4/20 0.48
SOD1 P00441 1/20 0.48
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.45
DRD2 P14416 2/20 0.45
TP53 P04637 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
DRD4 P21917 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
GFER P55789 1/20 0.43
TOP1 P11387 1/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL13290299 0.93 KMT2A (0.48) KMT2AMEN1HTR1AMAPTDRD2
SCHEMBL2897375 0.85 HTR1A (0.49) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL2897377 0.84 KMT2A (0.48) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL12041607 0.82 KMT2A (0.54) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL13290296 0.82 HRH3 (0.50) KMT2AMEN1HTR1AMAPTDRD2
SCHEMBL12041582 0.80 MAPT (0.69) KMT2AMEN1HTR1AMAPTRAB9A
SCHEMBL2881693 0.79 HTR1A (0.62) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL10260491 0.78 DRD2 (0.55) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL2880975 0.78 KMT2A (0.54) KMT2AMEN1HTR1AMAPTSOD1
SCHEMBL2881751 0.78 KMT2A (0.55) KMT2AMEN1HTR1AMAPTSOD1

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 KMT2A 1166/4885MEN1 4867/4885HTR1A 661/4885

“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.