SCHEMBL5995366

SCHEMBL5995366

CC(C(=O)O)n1nncc1CO

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 9/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 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
SCHEMBL909282 0.77 ALDH1A1 (0.53) SLC1A3ALDH1A1PTGS2KDM4EKMT2A
SCHEMBL23651542 0.77 PTGS2 (0.34) SLC1A3PTGS2
SCHEMBL25414764 0.72 PTGS2 (0.33) SLC1A3PTGS2
SCHEMBL1155426 0.70 MAPK1 (0.40) ALDH1A1PTGS2KDM4EKMT2AHSD11B1
SCHEMBL5998376 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2A
SCHEMBL3740763 0.66 PTGS2 (0.59) SLC1A3ALDH1A1PTGS2KDM4EHSD11B1
SCHEMBL19268185 0.66 PTGS2 (0.37) SLC1A3PTGS2HSD11B1
SCHEMBL2646281 0.65
SCHEMBL19272671 0.64 PTGS2 (0.39) SLC1A3PTGS2HSD11B1
SCHEMBL11983456 0.63 ALDH1A1 (0.37) ALDH1A1PTGS2KDM4EHSD11B1

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-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 SLC1A3 1593/4885ALDH1A1 1073/4885PTGS2 2325/4885

“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.