SCHEMBL8064404

SCHEMBL8064404

CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1COC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
SRC P12931 8/20 0.32

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
SCHEMBL633300 0.88 CYP1A2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3952737 0.88 CYP1A2 (0.41) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3945701 0.85 MMP2 (0.35) MMP2ANPEP
SCHEMBL8064826 0.85 NR1H2 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL10238542 0.85 NR1H2 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3246572 0.85 NR1H2 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL13636363 0.85 NR1H2 (0.39) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL584853 0.83 NR1H2 (0.48) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL584852 0.83 NR1H2 (0.48) NR1H2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3847760 0.83 NR1H2 (0.48) NR1H2CYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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 (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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF NR1H2 1784/4885CYP1A2 974/4885POLB 690/4885

“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.