SCHEMBL724838

SCHEMBL724838

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2nc(NCCc3ccc(CCC(=O)NCCN)cc3)nc(N)c21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA2B P29275 3/20 0.47
ADORA3 P0DMS8 5/20 0.46
ADORA1 P30542 4/20 0.40

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
SCHEMBL1081739 0.92 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1
Hydrochloric Acid SCHEMBL6754870 0.91 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1
Hydrochloric Acid SCHEMBL2031973 0.90 ADORA2A (0.55) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2295173 0.89 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1
SCHEMBL940191 0.88 ADORA2A (0.46) ADORA2AADORA2BADORA3
SCHEMBL726188 0.83 ADORA2A (0.46) ADORA2AADORA2BADORA3ADORA1
SCHEMBL17555535 0.82 ADORA2A (0.39) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5689599 0.78 ADORA2A (0.37) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2195769 0.77 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4300736 0.76 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 US claimed
EP-2170401-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2010-04-07 EP claimed
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-01-08 US claimed
WO-2009006046-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO claimed
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity NORTHEASTERN UNIVERSITY 2016-03-10 US disclosed
US-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY SITKOVSKY MICHAIL V (US) 2013-12-05 US disclosed
EP-2608794-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY Northeastern University (US) 2013-07-03 EP disclosed
US-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 US disclosed
WO-2012027695-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY NORTHEASTERN UNIVERSITY (US) 2012-03-01 WO disclosed
EP-2170401-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2010-04-07 EP disclosed
WO-2009152431-A1 P2Y1 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-12-17 WO disclosed
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-01-08 US disclosed
WO-2009006046-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 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 (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-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 5/4885ADORA3 2/4885
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 9/4885ADORA3 3/4885
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 5/4885ADORA3 2/4885

“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.