SCHEMBL17153120

SCHEMBL17153120

CC(C)(C)OC(=O)CN1CCNCC1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
PARP1 P09874 1/20 0.32
FPR2 P25090 2/20 0.31
SCN9A Q15858 2/20 0.31

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
SCHEMBL31315395 0.84 PLA2G10 (0.36) PLA2G10PLA2G5PARP1
SCHEMBL17152994 0.81 PLA2G10 (0.35) PLA2G10PLA2G5PARP1
SCHEMBL28231353 0.79 KDM4E (0.33) FPR2SCN9A
SCHEMBL3470165 0.79 PARP1 (0.37) PLA2G10PLA2G5PARP1
SCHEMBL28973166 0.78 GRM2 (0.34) PLA2G10PLA2G5PARP1
SCHEMBL14437894 0.76 SMN1; SMN2 (0.38) FPR2SCN9A
SCHEMBL8554593 0.75 PARP1 (0.43) PARP1
SCHEMBL8554343 0.75 PARP1 (0.43) PARP1
SCHEMBL17560433 0.75 PARP1 (0.43) PARP1
SCHEMBL30833586 0.74 PARP1 (0.35) PLA2G10PLA2G5PARP1

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-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE 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 (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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 PLA2G10 1983/4885PLA2G5 2266/4885PARP1 2867/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 PLA2G10 1983/4885PLA2G5 2266/4885PARP1 2867/4885

“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.