SCHEMBL6744940

SCHEMBL6744940

COc1cccc(C(CN(C)N)OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 1.00
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 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
Fumaric Acid SCHEMBL27578786 0.88 AOC3 (0.78) AOC3L3MBTL1
Fumaric Acid SCHEMBL27578785 0.88 AOC3 (0.78) AOC3L3MBTL1
SCHEMBL6743030 0.81 AOC3 (0.68) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL7066459 0.80 AOC3 (1.00) AOC3
SCHEMBL4032416 0.80 AOC3 (0.67) AOC3L3MBTL1
SCHEMBL19217778 0.77 AOC3 (0.62) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL14402423 0.76 AOC3 (0.60) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL13516902 0.74 AOC3 (0.59) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL27228369 0.74 AOC3 (0.59) AOC3L3MBTL1SLC6A2SLC6A4
SCHEMBL11468299 0.74 AOC3 (0.59) AOC3L3MBTL1SLC6A2SLC6A4

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-20040106654-A1 Inhibitors of copper-containing amine oxidases SMITH DAVID JOHN (FI) 2004-06-03 US claimed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 US claimed
US-20040106654-A1 Inhibitors of copper-containing amine oxidases SMITH DAVID JOHN (FI) 2004-06-03 US disclosed
US-6624202-B2 Antiinflammatory agents; antiarthritic agents; skin disorders BIOTIE THERAPIES CORP. (FI) 2003-09-23 US disclosed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 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-20040106654-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885L3MBTL1 3995/4885SLC6A2 291/4885
US-20020173521-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885L3MBTL1 3995/4885SLC6A2 291/4885

“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.