SCHEMBL8921804

SCHEMBL8921804

CC1CCC(C(=O)N2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.75
HTT P42858 1/20 0.58
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
CHRNB2 P17787 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CHRNB3 Q05901 1/20 0.52
CHRNA6 Q15825 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HSD11B1 P28845 2/20 0.47
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL12332586 1.00 HPGD (0.75) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL15199115 0.98 HPGD (0.79) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL10726764 0.91 ALDH1A1 (0.60) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL24480430 0.89 HPGD (0.58) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL19658219 0.89 HPGD (0.95) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL806748 0.89 HPGD (0.95) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL21087637 0.88 HPGD (0.63) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL10039301 0.86 HPGD (0.60) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL18228450 0.86 HPGD (1.00) HPGDHTTALDH1A1TSHRCHRNB2
SCHEMBL3504308 0.86 HPGD (1.00) HPGDHTTALDH1A1TSHRCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-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
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 (6 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 HPGD 3463/4885HTT 1922/4885ALDH1A1 2031/4885
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 HPGD 2020/4885HTT 4588/4885ALDH1A1 325/4885
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HPGD 4072/4885HTT 3665/4885ALDH1A1 4260/4885
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 HPGD 2084/4885HTT 4856/4885ALDH1A1 659/4885
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B HPGD 875/4885HTT 3096/4885ALDH1A1 310/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A HPGD 430/4885HTT 4828/4885ALDH1A1 149/4885

“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.