SCHEMBL21473988

SCHEMBL21473988

O=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.79
CRBN Q96SW2 5/20 0.67
FKBP5 Q13451 1/20 0.67
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16431244 1.00 OR51E2 (0.79) OR51E2CRBNFKBP5KDM4EGAA
SCHEMBL28729362 0.90 CRBN (0.76) OR51E2CRBNFKBP5KDM4EGAA
2-Pyrrolidone SCHEMBL2389 0.89
2-Pyrrolidone SCHEMBL27827832 0.89
2-Pyrrolidone SCHEMBL4299593 0.89
2-Pyrrolidone SCHEMBL2167448 0.89 OR51E2 (1.00) OR51E2CRBNFKBP5KDM4EGAA
2-Pyrrolidone SCHEMBL9304498 0.89 OR51E2 (1.00) OR51E2CRBNFKBP5KDM4EGAA
2-Pyrrolidone SCHEMBL3477689 0.86
2-Pyrrolidone SCHEMBL9510 0.86
2-Pyrrolidone SCHEMBL2518866 0.86

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-20190315806-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CAMS (CN) 2019-10-17 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-20190315806-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF NPEPPS, MYD88, MRPL21 OR51E2 2942/4885CRBN 2325/4885FKBP5 2316/4885

“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.