SCHEMBL22279768

SCHEMBL22279768

COC(=O)[C@H]1CNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.36
F2 P00734 3/20 0.36
F10 P00742 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL28009406 1.00 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1026647 1.00 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Acetic Acid Methyl Ester SCHEMBL9151328 0.94 BRD4 (0.42) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Propene SCHEMBL7744011 0.91 BRD4 (0.40) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Dodecanol SCHEMBL28693387 0.83 SLC5A1 (0.41) BRD4KMT2APDE4APDE4BPDE4C
SCHEMBL16612384 0.81 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2153275 0.81 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8262495 0.81 CHRNB2 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28009383 0.81 MAPK1 (0.39) ACACBSCN8A
SCHEMBL14058597 0.79 ALDH1A1 (0.41) KMT2AACACBPDE4APDE4BPDE4C

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-20200239446-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2020-07-30 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-20200239446-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G4A, PLA2G4C BRD4 2552/4885CHRNB2 4348/4885CHRNA4 3305/4885

“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.