SCHEMBL17155232

SCHEMBL17155232

CC(C)(C)OC(=O)CN1CCNC(COCCC#N)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.33
PLA2G5 P39877 2/20 0.33
BIRC2 Q13490 2/20 0.32
XIAP P98170 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL16826797 0.78 BIRC2 (0.38) PLA2G10PLA2G5BIRC2XIAPALDH1A1
SCHEMBL16854473 0.78 BIRC2 (0.38) PLA2G10PLA2G5BIRC2XIAPALDH1A1
SCHEMBL2906920 0.76 BIRC2 (0.37) PLA2G10PLA2G5BIRC2MAPT
SCHEMBL4960304 0.74 BIRC2 (0.35) PLA2G10PLA2G5BIRC2MAPT
SCHEMBL17153062 0.74 BIRC2 (0.55) PLA2G10PLA2G5BIRC2XIAP
SCHEMBL17155371 0.71 SIGMAR1 (0.40) PLA2G10PLA2G5ALDH1A1
SCHEMBL17153059 0.70 BIRC2 (0.38) PLA2G10PLA2G5BIRC2XIAP
SCHEMBL17153080 0.69 BIRC2 (0.37) PLA2G10PLA2G5BIRC2XIAPMAPT
SCHEMBL649131 0.66 SIGMAR1 (0.50) PLA2G10PLA2G5MEN1ALDH1A1MAPT
SCHEMBL4134315 0.66 SIGMAR1 (0.50) PLA2G10PLA2G5MEN1ALDH1A1MAPT

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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 PLA2G10 2046/4885PLA2G5 2401/4885BIRC2 1256/4885

“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.