SCHEMBL8921598

SCHEMBL8921598

COC(=O)OCC1CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.33
SCN9A Q15858 2/20 0.33
GAA P10253 2/20 0.33
PTGIR P43119 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL12375355 1.00 POLB (0.36) POLBSLC1A3SLC1A2SLC1A1LMNA
SCHEMBL11146357 0.92 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL698072 0.92
SCHEMBL16541346 0.86 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL10089202 0.84 EPHX2 (0.36) SLC1A3SLC1A2SLC1A1LMNAGAA
SCHEMBL698000 0.83 LMNA (0.48) SLC1A3SLC1A2SLC1A1LMNAEPHX1
SCHEMBL698776 0.83 LMNA (0.44) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL3485368 0.82 LMNA (0.38) POLBSLC1A3SLC1A2SLC1A1LMNA
SCHEMBL4630436 0.82 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAEPHX1
SCHEMBL698391 0.82 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAEPHX1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADENOSINE THERAPEUTICS, LLC (US) 2014-07-31 US disclosed
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADENOSINE THERAPEUTICS, LLC (US) 2014-07-31 US disclosed
US-8551972-B2 Agonists of A2A adenosine receptors for treating recurrent tumor growth ADENOSINE THERAPEUTICS, LLC (US) 2013-10-08 US disclosed
US-8551972-B2 Agonists of A2A adenosine receptors for treating recurrent tumor growth ADENOSINE THERAPEUTICS, LLC (US) 2013-10-08 US disclosed
US-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 US disclosed
US-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 US disclosed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US disclosed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
WO-2008124150-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-16 WO disclosed
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 US disclosed
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
WO-2007120972-A2 METHOD TO TREAT SICKLE CELL DISEASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-10-25 WO disclosed
WO-2007092936-A9 METHOD TO TREAT GASTRIC LESIONS UNIV VIRGINIA (US) 2007-10-18 WO disclosed
WO-2007092936-A2 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-16 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 (5 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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2A, ADORA2B POLB 4028/4885SLC1A3 78/4885SLC1A2 170/4885
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 POLB 4433/4885SLC1A3 182/4885SLC1A2 99/4885
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 POLB 4211/4885SLC1A3 601/4885SLC1A2 333/4885
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B POLB 2687/4885SLC1A3 1765/4885SLC1A2 1275/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A POLB 3354/4885SLC1A3 2574/4885SLC1A2 1941/4885

“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.