SCHEMBL14931007

SCHEMBL14931007

CN1CC=CCN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C1=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDA P32320 11/20 0.67
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SLC29A1 Q99808 1/20 0.45

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
SCHEMBL586883 0.80 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL18575668 0.80 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL587511 0.80 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL13030857 0.80 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL13030835 0.80 CDA (0.65) CDAPDE4DPDE3ASLC29A1
SCHEMBL13145227 0.74 CDA (0.75) CDAPDE4DPDE3ASLC29A1
SCHEMBL14931088 0.73 CDA (0.64) CDASLC29A1
SCHEMBL23467212 0.71 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL20788791 0.71 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL20788714 0.71 CDA (1.00) CDAPDE4DPDE3ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 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-20130116207-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CDA 537/4885PDE4D 2388/4885PDE3A 1457/4885

“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.