SCHEMBL13873443

SCHEMBL13873443

NCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
HSD11B1 P28845 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
EPHX2 P34913 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL30792579 0.90 HTT (0.58) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL27004615 0.89 HTT (0.62) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL15545516 0.83 HTT (0.55) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL28334704 0.82 KDM4E (0.68) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL8655345 0.81 KDM4E (0.66) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL8879807 0.79 KDM4E (1.00) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL17702625 0.78 KMT2A (0.70) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL22886505 0.77 HTT (0.49) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL6274755 0.77 KMT2A (0.69) HTTKDM4EKMT2AMEN1HSD11B1
SCHEMBL17703564 0.77 KDM4E (0.60) HTTKDM4EKMT2AMEN1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090110634-A1 RADIOLABELLED NANOPARTICLES BEER PAUL D 2009-04-30 US disclosed
US-20090110634-A1 RADIOLABELLED NANOPARTICLES BEER PAUL D 2009-04-30 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-20090110634-A1 RADIOLABELLED NANOPARTICLES CD63, PIGO, NCL HTT 1553/4885KDM4E 3053/4885KMT2A 2590/4885

“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.