SCHEMBL1465845

SCHEMBL1465845

COc1cc(OC)cc(C(N)(c2cc(OC)cc(OC)c2)C(N)CC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 2/20 0.34
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL637387 0.83 SLC6A4 (0.44) SLC6A4
SCHEMBL1467139 0.80 ALDH1A1 (0.46) ALDH1A1TAAR1SLC6A4
SCHEMBL1466083 0.77 ALDH1A1 (0.42) ALDH1A1TAAR1SLC6A4HTR2A
SCHEMBL1465631 0.74 TAAR1 (0.44) ALDH1A1TAAR1SLC6A4
SCHEMBL635649 0.71 CYP2D6 (0.40) TAAR1SLC6A4
SCHEMBL7103278 0.70 TAAR1 (0.46) ALDH1A1TAAR1
SCHEMBL7674778 0.70 TAAR1 (0.46) ALDH1A1TAAR1
SCHEMBL1152830 0.68 AOC3 (0.44) ALDH1A1SLC6A4
SCHEMBL1152832 0.68 AOC3 (0.44) ALDH1A1SLC6A4
SCHEMBL637388 0.67 SLC6A4 (0.50) TAAR1SLC6A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US claimed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP claimed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO claimed
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US disclosed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 WO disclosed
US-6878838-B2 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-12 US disclosed
WO-2004084834-A2 CHIRAL POROUS METAL PHOSPHONATES FOR HETEROGENEOUS ASYMMETRIC CATALYSIS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-10-07 WO disclosed
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE 2004-09-30 US disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 EP 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 (3 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C ALDH1A1 85/4885TAAR1 132/4885SLC6A4 3843/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 ALDH1A1 3759/4885TAAR1 634/4885SLC6A4 1993/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK ALDH1A1 4320/4885TAAR1 3369/4885SLC6A4 2623/4885

“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.