SCHEMBL6743692

SCHEMBL6743692

COc1cccc(C(O)CN(C)N=O)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.72
L3MBTL1 Q9Y468 1/20 0.56
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
GRIN2B Q13224 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL6282443 0.83 AOC3 (0.77) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6743030 0.83 AOC3 (0.68) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6745741 0.82 AOC3 (0.69) AOC3SLC6A2SLC6A4
SCHEMBL6282438 0.81 AOC3 (0.73) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6273923 0.79 L3MBTL1 (0.61) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11077953 0.77 AOC3 (0.68) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL25159738 0.75 AOC3 (0.64) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL28339061 0.75 AOC3 (0.64) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6492140 0.75 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL22785842 0.75 AOC3 (0.66) AOC3L3MBTL1CHRM2CHRM1CHRM3

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 4 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 disclosed
CN-1450998-A Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP (FI) 2003-10-22 CN 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 3995/4885CHRM2 1940/4885
US-20020173521-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885L3MBTL1 3995/4885CHRM2 1940/4885

“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.