SCHEMBL10137434

SCHEMBL10137434

CNC1CCC(C(C)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NAMPT P43490 1/20 0.31
POLB P06746 2/20 0.31
FASN P49327 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
SCHEMBL13186124 1.00 ATM (0.33) ATMEPHX2KDM4EALDH1A1NAMPT
SCHEMBL8223092 0.88 EPHX2 (0.36) ATMEPHX2NAMPTPOLB
SCHEMBL13282349 0.88 EPHX2 (0.36) ATMEPHX2NAMPTPOLB
SCHEMBL12436664 0.88 EPHX2 (0.36) ATMEPHX2NAMPTPOLB
SCHEMBL10137421 0.86 BTK (0.39) EPHX2KDM4EALDH1A1
SCHEMBL15491807 0.82
SCHEMBL13933329 0.82
SCHEMBL23590187 0.81 ACE (0.41) EPHX2ALDH1A1
SCHEMBL3545764 0.81 ACE (0.41) EPHX2ALDH1A1
SCHEMBL10146230 0.81 ACE (0.41) EPHX2ALDH1A1

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
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 WO disclosed
WO-2013113916-A2 GHRELIN ANALOGUES ZEALAND PHARMA A/S (DK) 2013-08-08 WO disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ ATM 4021/4885EPHX2 2808/4885KDM4E 4717/4885

“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.