SCHEMBL4596098

SCHEMBL4596098

CN1CCC(C(O)CN)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
KDM4E B2RXH2 3/20 0.54
GMNN O75496 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NCF1 P14598 1/20 0.46
GNAI3 P08754 3/20 0.32
GNAO1 P09471 3/20 0.32
GNAI1 P63096 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL4594598 0.83 NCF1 (0.43) TP53KDM4EGMNNLMNAMAPT
SCHEMBL12593604 0.82 NCF1 (0.39) TP53KDM4EGMNNLMNAMAPT
SCHEMBL12535764 0.80 NCF1 (0.38) TP53NCF1GNAI3GNAO1GNAI1
SCHEMBL28226820 0.79 GNAI3 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL6027356 0.78 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL23724946 0.78
SCHEMBL937861 0.78
SCHEMBL30187440 0.78
SCHEMBL8744450 0.77 EPHX1 (0.52) NCF1GNAI3GNAO1GNAI1
SCHEMBL12535970 0.77 NCF1 (0.35) TP53NCF1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 TP53 363/4885KDM4E 2078/4885GMNN 3084/4885

“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.