SCHEMBL4713065

SCHEMBL4713065

CC1CCC(O)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 2/20 0.38
MAOA P21397 1/20 0.37
EPHX1 P07099 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 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
SCHEMBL12096427 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL7269198 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4083324 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL13813883 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL13378898 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL765258 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3305502 0.88 BTK (0.46) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL12035417 0.87 BTK (0.45) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL18588895 0.86 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL30565029 0.85 BTK (0.55) BTKKDM1AMAOBNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 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 (2 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 BTK 3191/4885KDM1A 2255/4885MAOB 1356/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 BTK 2870/4885KDM1A 1946/4885MAOB 1339/4885

“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.