SCHEMBL3478066

SCHEMBL3478066

C#CCC1CCC(COC(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.36
MAOB P27338 3/20 0.36
LMNA P02545 1/20 0.34
ACACB O00763 3/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
PTGIR P43119 1/20 0.30

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
SCHEMBL3425672 1.00 BCHE (0.36) BCHEMAOBLMNAACACBSLC1A3
SCHEMBL11146357 0.85 SLC1A3 (0.38) LMNAACACBSLC1A3SLC1A2SLC1A1
SCHEMBL698072 0.85
SCHEMBL3424857 0.84 LMNA (0.35) BCHEMAOBLMNAACACB
SCHEMBL3427797 0.82 LMNA (0.36) BCHEMAOBLMNA
SCHEMBL928953 0.82 LMNA (0.36) BCHEMAOBLMNA
SCHEMBL16541346 0.80 SLC1A3 (0.35) LMNAACACBSLC1A3SLC1A2SLC1A1
SCHEMBL8921598 0.78 POLB (0.36) LMNAACACBSLC1A3SLC1A2SLC1A1
SCHEMBL12375355 0.78 POLB (0.36) LMNAACACBSLC1A3SLC1A2SLC1A1
SCHEMBL10089202 0.78 EPHX2 (0.36) LMNAACACBSLC1A3SLC1A2SLC1A1

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 9 patents. 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 disclosed
EP-2266994-A1 2-propynyl adenosine analgos with modified 5'-ribose groups having A2A agonist activity University Of Virginia Patent Foundation (US) 2010-12-29 EP 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-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-1778712-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-05-02 EP disclosed
WO-2006015357-A9 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIV VIRGINIA (US) 2006-04-20 WO disclosed
WO-2006028618-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-03-16 WO disclosed
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 BCHE 3500/4885MAOB 311/4885LMNA 1558/4885

“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.