SCHEMBL8959413

SCHEMBL8959413

CN[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP30 Q70CQ3 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
KDM5B Q9UGL1 2/20 0.38
HRH4 Q9H3N8 3/20 0.36
P2RX4 Q99571 1/20 0.36
KDM5A P29375 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL8959410 0.92 KDM4E (0.46) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL10156602 0.85 HTT (0.46) KDM4EALDH1A1HTTPOLB
SCHEMBL1911335 0.83 KDM4E (0.41) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL358467 0.83 KDM4E (0.41) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL1918845 0.81 KDM4E (0.61) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL14257122 0.81 KDM4E (0.45) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL3265651 0.80 KDM4E (0.39) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL13853824 0.79 KDM4E (0.55) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL81623 0.78
SCHEMBL359361 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
EP-2066669-B1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-09-15 EP disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 EP disclosed
WO-2008031875-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-03-20 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 (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-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 KDM4E 4499/4885ALDH1A1 333/4885USP30 3440/4885

“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.