SCHEMBL5390787

SCHEMBL5390787

CC(C)(C)OC(=O)N[C@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
EPHX2 P34913 1/20 0.49
GAA P10253 2/20 0.47
REN P00797 1/20 0.46
CTSK P43235 2/20 0.45
EPHX1 P07099 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1710195 1.00 BTK (0.53) BTKEPHX2GAARENCTSK
SCHEMBL5390795 1.00 BTK (0.53) BTKEPHX2GAARENCTSK
SCHEMBL5376383 1.00 BTK (0.53) BTKEPHX2GAARENCTSK
SCHEMBL1710198 0.93 BTK (0.51) BTKEPHX2GAARENCTSK
SCHEMBL114920 0.92 BTK (0.51) BTKEPHX2GAARENCTSK
Hydrochloric Acid SCHEMBL222511 0.91 BTK (0.50) BTKEPHX2GAARENCTSK
SCHEMBL23971128 0.90 BTK (0.48) BTKEPHX2GAARENCTSK
SCHEMBL14428320 0.90 BTK (0.48) BTKEPHX2GAARENCTSK
SCHEMBL20497903 0.90 BTK (0.48) BTKEPHX2GAARENCTSK
SCHEMBL1552784 0.90 BTK (0.48) BTKEPHX2GAARENCTSK

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 3 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

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 BTK 3460/4885EPHX2 3846/4885GAA 395/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BTK 3600/4885EPHX2 2823/4885GAA 778/4885

“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.