SCHEMBL17483741

SCHEMBL17483741

COC(=O)[C@@]1(C)CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DDB1 Q16531 3/20 0.32
CRBN Q96SW2 3/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 2/20 0.31
PKM P14618 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL3010410 1.00 BUB1 (0.34) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL3010408 1.00 BUB1 (0.34) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL1293777 0.91 BUB1 (0.35) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL4767608 0.91 BUB1 (0.35) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL631011 0.85 BUB1 (0.35) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL1293778 0.85 BUB1 (0.35) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL311298 0.85 BUB1 (0.35) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL27785365 0.81 CHRM2 (0.32) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL3658980 0.80 BUB1 (0.38) BUB1CHRM2CHRM1CHRM3DDB1
SCHEMBL6783662 0.77 BUB1 (0.34) BUB1CHRM2CHRM1CHRM3DDB1

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
CN-105164117-B Dipeptides and tripeptide epoxy ketone protease inhibitors 欧尼斯治疗公司 2019-02-01 CN disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 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-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, PEPD, DNPEP BUB1 2013/4885CHRM2 4881/4885CHRM1 4880/4885

“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.