SCHEMBL23905111

SCHEMBL23905111

CCCCCCS(=O)(=O)NCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.47
CA2 P00918 3/20 0.44
FAAH O00519 2/20 0.43
EPHX1 P07099 1/20 0.42
PPARA Q07869 2/20 0.39

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
SCHEMBL13398957 1.00 RELA (0.47) RELACA2FAAHEPHX1PPARA
SCHEMBL12194986 1.00 RELA (0.47) RELACA2FAAHEPHX1PPARA
SCHEMBL9660903 0.98 RELA (0.45) RELACA2FAAHEPHX1
SCHEMBL12194930 0.92 RELA (0.39) RELACA2EPHX1PPARA
SCHEMBL12988956 0.83 GRIA4 (0.42) RELACA2EPHX1
SCHEMBL14336087 0.82 RELA (0.42) RELACA2FAAH
SCHEMBL17771175 0.79 ALDH1A1 (0.34)
SCHEMBL11883426 0.79 RELA (0.53) RELACA2FAAHPPARA
SCHEMBL7691856 0.79 RELA (0.53) RELACA2FAAHPPARA
SCHEMBL19776014 0.79 RELA (0.53) RELACA2FAAHPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP 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 (3 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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 RELA 1292/4885CA2 3061/4885FAAH 4091/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 RELA 1292/4885CA2 3061/4885FAAH 4091/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 RELA 1292/4885CA2 3061/4885FAAH 4091/4885

“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.