SCHEMBL5390789

SCHEMBL5390789

CC(C)(C)OC(=O)NC1CCCCN1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.34

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
SCHEMBL28543718 0.81 GAA (0.40) CTSKBTKCA1CA2GAA
SCHEMBL28543678 0.81 GAA (0.40) CTSKBTKCA1CA2GAA
SCHEMBL8484888 0.79 BTK (0.49) CTSKBTKCA1CA2GAA
SCHEMBL4630452 0.78 CTSK (0.48) CTSKBTKCA1CA2GAA
SCHEMBL4630082 0.78 CTSK (0.39) CTSKBTKCA1CA2GAA
SCHEMBL27731572 0.78 EPHX1 (0.40) CTSKBTKCA1CA2GAA
SCHEMBL29689842 0.75 CTSK (0.41) CTSKBTKCA1CA2GAA
SCHEMBL9078128 0.75 HSD17B10 (0.48) CTSKBTKCA1CA2EPHX1
SCHEMBL477283 0.75 LIPE (0.42) CTSKBTKCA1CA2GAA
SCHEMBL7017564 0.74 EPHX1 (0.40) CTSKBTKCA1CA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 CTSK 1427/4885BTK 3460/4885CA1 4865/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD CTSK 1251/4885BTK 3600/4885CA1 4538/4885

“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.