SCHEMBL6742350

SCHEMBL6742350

COc1ccc(C(O)CN(C)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 1.00
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC2A1 P11166 1/20 0.44
POLB P06746 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
SCHEMBL6479388 0.85 AOC3 (0.74) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL6479386 0.82 AOC3 (0.70) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL6745741 0.81 AOC3 (0.69) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL7066459 0.79 AOC3 (1.00) AOC3SLC2A1
SCHEMBL336019 0.77 AOC3 (0.65) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL7152554 0.77 AOC3 (0.65) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL6744933 0.77 AOC3 (1.00) AOC3
SCHEMBL9054504 0.77 AOC3 (0.65) AOC3ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL327629 0.77 AOC3 (0.63) AOC3ALDH1A1MAPTSLC2A1
SCHEMBL6260301 0.76 AOC3 (0.61) AOC3ALDH1A1MAPTPOLB

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 7 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
EP-1313718-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES Biotie Therapies Corp. (FI) 2003-05-28 EP claimed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 US claimed
WO-2002002090-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP. (FI) 2002-01-10 WO 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 2/4885ALDH1A1 14/4885MAPT 762/4885
US-20020173521-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885ALDH1A1 14/4885MAPT 762/4885

“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.