SCHEMBL8959404

SCHEMBL8959404

CNC1CCC(NC(=O)N[C@H]2CC[C@H](NC)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.61
EPHX1 P07099 12/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL10156594 1.00 EPHX2 (0.61) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL9003951 0.89 EPHX2 (0.50) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL9547538 0.86 EPHX2 (0.78) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL3273214 0.82 POLB (0.41) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL3273218 0.82 POLB (0.41) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL15765690 0.82 ATM (0.48) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL15388389 0.82 POLB (0.41) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL10245502 0.82 ATM (0.48) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL21452802 0.82 ATM (0.48) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL10155582 0.81 EPHX2 (0.56) EPHX2EPHX1KDM4EALDH1A1NPC1

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 4 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
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
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 EP 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 EPHX2 1537/4885EPHX1 1870/4885KDM4E 4499/4885

“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.