SCHEMBL8960563

SCHEMBL8960563

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nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.51
BTK Q06187 1/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
EPHX2 P34913 1/20 0.42
CTSK P43235 2/20 0.42
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.38
KCNA3 P22001 1/20 0.37

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
SCHEMBL1412188 1.00 EPHX1 (0.51) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL1412190 1.00 EPHX1 (0.51) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL133307 0.92 BTK (0.50) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL183834 0.92 BTK (0.50) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL48274 0.92 BTK (0.50) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL25306007 0.92 BTK (0.50) EPHX1BTKKDM1AMAOBEPHX2
SCHEMBL25306009 0.92 BTK (0.50) EPHX1BTKKDM1AMAOBEPHX2
Hydrochloric Acid SCHEMBL31088698 0.91 BTK (0.49) EPHX1BTKKDM1AMAOBEPHX2
Hydrochloric Acid SCHEMBL30563288 0.91 BTK (0.49) EPHX1BTKKDM1AMAOBEPHX2
Hydrochloric Acid SCHEMBL27995727 0.91 BTK (0.49) EPHX1BTKKDM1AMAOBEPHX2

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
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US 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

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 EPHX1 1870/4885BTK 4580/4885KDM1A 3137/4885

“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.