SCHEMBL2113200

SCHEMBL2113200

[CH2]OC(=O)C1([O])CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 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
SCHEMBL12471630 0.60 KMT2A (0.42) KDM4EKMT2AOPRM1
SCHEMBL4104019 0.59 KMT2A (0.41) KDM4EKMT2AOPRM1
SCHEMBL854175 0.59 KDM4E (0.41) KDM4EKMT2AOPRM1
SCHEMBL31170659 0.58 KDM4E (0.36) KDM4EKMT2AOPRM1
SCHEMBL21553840 0.58 KDM4E (0.44) KDM4EKMT2AOPRM1
SCHEMBL12230984 0.57
SCHEMBL7677113 0.57
SCHEMBL825722 0.57 KDM4E (0.38) KDM4EKMT2AOPRM1
Hydrochloric Acid SCHEMBL23727033 0.57 KDM4E (0.38) KDM4EKMT2AOPRM1
SCHEMBL23727874 0.55 CYP1A2 (0.38) KDM4EKMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 US disclosed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US disclosed
US-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
US-7427606-B2 Method to reduce inflammatory response in transplanted tissue UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-23 US disclosed
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 US disclosed
US-7378400-B2 Method to reduce an inflammatory response from arthritis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-27 US disclosed
EP-1496911-B1 USE OF A COMBINATION COMPRISING A2A ADENOSINE RECEPTOR AGONISTS AND ANTI-PATHOGENIC AGENTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV VIRGINIA (US) 2007-12-19 EP disclosed
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-04 US disclosed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US disclosed
EP-1746885-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-01-31 EP disclosed
US-20060100169-A1 Method to reduce an inflammatory response from arthritis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-05-11 US disclosed
US-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-24 US disclosed
WO-2005107463-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-11-17 WO disclosed
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US disclosed
EP-1496911-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-01-19 EP disclosed
EP-1434782-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF University of Virginia Patent Foundation (US) 2004-07-07 EP disclosed
WO-2003086408-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-10-23 WO disclosed
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US disclosed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 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 (7 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-20060100169-A1 Method to reduce an inflammatory response from arthritis PDE4A, PDE4B, PDE7A KDM4E 1705/4885KMT2A 3339/4885OPRM1 3039/4885
US-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy ADORA2A, ADORA3, PDE4A KDM4E 1535/4885KMT2A 2621/4885OPRM1 834/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B KDM4E 3032/4885KMT2A 4262/4885OPRM1 1110/4885
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue ADORA2A, PDE4A, PDE4B KDM4E 2737/4885KMT2A 4304/4885OPRM1 1135/4885
US-20070232559-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 2505/4885KMT2A 1922/4885OPRM1 192/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 KDM4E 2505/4885KMT2A 1922/4885OPRM1 192/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 KDM4E 3528/4885KMT2A 2388/4885OPRM1 134/4885

“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.