SCHEMBL294366

SCHEMBL294366

CCCOC(=O)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
PMP22 Q01453 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 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
Hydrochloric Acid SCHEMBL28953272 0.98 PPM1B (0.46) PPM1BPTPN1PPP1CCGABRPGABRD
SCHEMBL4917731 0.89 GNAI3 (0.47) PPM1BPTPN1PPP1CCGABRPGABRD
SCHEMBL6063290 0.89 PPM1B (0.41) PPM1BPTPN1PPP1CCGABRPGABRD
Bromide SCHEMBL11562531 0.87 GNAI3 (0.46) PPM1BPTPN1PPP1CCGABRPGABRD
SCHEMBL13610197 0.86 GNAI3 (0.53) TSHRGNAI3GNAO1GNAI1
SCHEMBL6141464 0.86
SCHEMBL526510 0.86 PPM1B (0.55) PPM1BPTPN1PPP1CCMAPTALDH1A1
Ethyl Isonipecotate SCHEMBL27886 0.84 MAPT (0.51) PPM1BPTPN1PPP1CCGABRPGABRD
Ethyl Isonipecotate SCHEMBL6439825 0.84 MAPT (0.51) PPM1BPTPN1PPP1CCGABRPGABRD
SCHEMBL27661510 0.83 TSHR (0.42) GABRPGABRDGABRA1TSHRGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 EP claimed
US-7605143-B2 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US claimed
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 claimed
US-7427606-B2 Method to reduce inflammatory response in transplanted tissue UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-23 US claimed
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 US claimed
US-7378400-B2 Method to reduce an inflammatory response from arthritis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-27 US claimed
JP-2008508360-A 2008-03-21 JP claimed
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 claimed
CN-101068825-A Having a2A2-propynyl adenosine analogs with modified 5' -ribose groups for agonist activity UNIV VIRGINIA (US) 2007-11-07 CN claimed
US-7214665-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-08 US claimed
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-23 US claimed
WO-2006015357-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-02-09 WO claimed
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 claimed
WO-2005107463-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-11-17 WO claimed
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 claimed
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 claimed
EP-1434782-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF University of Virginia Patent Foundation (US) 2004-07-07 EP claimed
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 claimed
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 claimed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 WO claimed

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-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy ADORA2A, ADORA3, PDE4A PPM1B 1369/4885PTPN1 1528/4885PPP1CC 3576/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B PPM1B 599/4885PTPN1 3396/4885PPP1CC 2594/4885
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue ADORA2A, PDE4A, PDE4B PPM1B 613/4885PTPN1 2999/4885PPP1CC 2089/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 PPM1B 2118/4885PTPN1 2092/4885PPP1CC 4309/4885
US-20060040888-A1 2-propynyl adenosine analogs with modifed 5'-ribose groups having A2A agonist activity ADORA2A, ADORA3, ADORA1 PPM1B 4036/4885PTPN1 4673/4885PPP1CC 4837/4885

“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.