SCHEMBL1223716

SCHEMBL1223716

[C]#CCCCC(=O)NCCN

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.37
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.36
SELP P16109 1/20 0.35
KDM4A O75164 1/20 0.35
HIF1A Q16665 1/20 0.35
TET2 Q6N021 1/20 0.35
DOHH Q9BU89 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PAOX Q6QHF9 2/20 0.34
FAAH O00519 3/20 0.34
CASP2 P42575 1/20 0.33
TPSAB1 Q15661 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14198853 0.81 SLC6A5 (0.49) SLC6A5TSHRCA1CA2FAAH
SCHEMBL20873757 0.81 CYP1A2 (0.45) SLC6A5EPHX2TSHRSELPCA1
SCHEMBL11142780 0.79 CA1 (0.47) SLC6A5TSHRKDM4AHIF1ATET2
SCHEMBL20710352 0.79 SLC6A5 (0.51) SLC6A5TSHRFAAHCASP2LMNA
SCHEMBL10057792 0.79 SLC6A5 (0.51) SLC6A5TSHRFAAHCASP2LMNA
SCHEMBL38654455 0.76 ALDH1A1 (0.42) SLC6A5TSHRKDM4AHIF1ATET2
SCHEMBL27398896 0.76 PAOX (0.56) SLC6A5TSHRKDM4AHIF1ATET2
SCHEMBL22289072 0.75 SLC6A5 (0.57) SLC6A5KDM4AHIF1ATET2DOHH
SCHEMBL16421586 0.75 SLC6A5 (0.57) SLC6A5KDM4AHIF1ATET2DOHH
SCHEMBL5892041 0.75 TSHR (0.45) SLC6A5TSHRCA1CA2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260038-B1 PURINE DERIVATIVES AS A3 ADENOSINE RECEPTOR-SELECTIVE AGONISTS US HEALTH (US) 2014-12-03 EP claimed
US-8735407-B2 Purine derivatives as A3 adenosine receptor-selective agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-05-27 US claimed
US-20110046166-A1 PURINE DERIVATIVES AS A3 ADENOSINE RECEPTOR-SELECTIVE AGONISTS Office of Technology Transfer, NIH (US) 2011-02-24 US claimed
EP-2260038-A1 PURINE DERIVATIVES AS A3 RECEPTOR- SELECTIVE AGONISTS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-12-15 EP claimed
WO-2009123881-A1 PURINE DERIVATIVES AS A3 RECEPTOR- SELECTIVE AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-10-08 WO claimed
US-8916570-B2 A3 adenosine receptor agonists and antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-12-23 US disclosed
EP-2260038-B1 PURINE DERIVATIVES AS A3 ADENOSINE RECEPTOR-SELECTIVE AGONISTS US HEALTH (US) 2014-12-03 EP disclosed
US-8735407-B2 Purine derivatives as A3 adenosine receptor-selective agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-05-27 US disclosed
US-20120184569-A1 A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-07-19 US disclosed
US-20110046166-A1 PURINE DERIVATIVES AS A3 ADENOSINE RECEPTOR-SELECTIVE AGONISTS Office of Technology Transfer, NIH (US) 2011-02-24 US disclosed
EP-2260038-A1 PURINE DERIVATIVES AS A3 RECEPTOR- SELECTIVE AGONISTS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-12-15 EP disclosed
WO-2009123881-A1 PURINE DERIVATIVES AS A3 RECEPTOR- SELECTIVE AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-10-08 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 (2 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-20110046166-A1 PURINE DERIVATIVES AS A3 ADENOSINE RECEPTOR-SELECTIVE AGONISTS ADORA3, ADORA1, ADORA2A SLC6A5 3791/4885EPHX2 1165/4885TSHR 266/4885
US-20120184569-A1 A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS ADORA3, ADORA1, ADORA2A SLC6A5 3651/4885EPHX2 1376/4885TSHR 163/4885

“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.