SCHEMBL2113831

SCHEMBL2113831

CC(C)(C)OC(=O)N[C@H]1c2cc(N)ccc2C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 5/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KDM1A O60341 2/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
GAA P10253 1/20 0.34
MAOB P27338 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
SCHEMBL4651408 1.00 NR1H2 (0.41) NR1H2EPHX2NFKB1NFKB2RELA
SCHEMBL5121326 1.00 NR1H2 (0.41) NR1H2EPHX2NFKB1NFKB2RELA
SCHEMBL4651411 1.00 NR1H2 (0.41) NR1H2EPHX2NFKB1NFKB2RELA
SCHEMBL2113457 0.85 EPHX2 (0.38) EPHX2NFKB1NFKB2RELAMEN1
SCHEMBL4652861 0.85 EPHX2 (0.38) EPHX2NFKB1NFKB2RELAMEN1
SCHEMBL4652641 0.85 EPHX2 (0.38) EPHX2NFKB1NFKB2RELAMEN1
SCHEMBL520204 0.84 CHRM1 (0.41) EPHX2NFKB1NFKB2RELAMEN1
SCHEMBL4651699 0.82 KCNA5 (0.40) EPHX2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL4651696 0.82 KCNA5 (0.40) EPHX2MEN1ALDH1A1KMT2ACHRM1
SCHEMBL4651793 0.82 EPHX2 (0.37) EPHX2NFKB1NFKB2RELAMEN1

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
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 US disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV NR1H2 726/4885EPHX2 4238/4885NFKB1 558/4885

“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.