SCHEMBL10281146

SCHEMBL10281146

COC(=O)c1cnc(N2CCC2C(=O)OC)c(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.40
P2RY12 Q9H244 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6128543 0.93 OPRK1 (0.43) OPRK1P2RY12CYP11B2
SCHEMBL708166 0.80 OPRK1 (0.60) OPRK1SMN1; SMN2KDM4E
SCHEMBL708167 0.80 OPRK1 (0.60) OPRK1SMN1; SMN2KDM4E
SCHEMBL10281620 0.74 OPRK1 (0.62) OPRK1SMN1; SMN2KDM4E
SCHEMBL6125265 0.74 OPRK1 (0.62) OPRK1SMN1; SMN2KDM4E
SCHEMBL6128551 0.74 OPRK1 (0.37) OPRK1P2RY12CYP11B2KDM4E
SCHEMBL708078 0.73 OPRK1 (0.64) OPRK1SMN1; SMN2KDM4E
SCHEMBL708077 0.73 OPRK1 (0.64) OPRK1SMN1; SMN2KDM4E
SCHEMBL21661132 0.72 OPRK1 (0.44) OPRK1SMN1; SMN2KDM4E
SCHEMBL10281206 0.69 PSMD14 (0.38) P2RY12SMN1; SMN2CYP11B2KDM4E

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-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 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 (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-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 OPRK1 1194/4885P2RY12 2050/4885SMN1; SMN2 1693/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 OPRK1 1194/4885P2RY12 2050/4885SMN1; SMN2 1693/4885

“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.