SCHEMBL826583

SCHEMBL826583

CC(C)(C)OC(=O)N1CCN(CCn2c(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n3c4ccccc4nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CCR5 P51681 4/20 0.39
ACKR3 P25106 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL823482 0.87 TP53 (0.41) PLK1CCR5ACKR3TP53SMN1; SMN2
SCHEMBL823413 0.77 ENPP2 (0.42) OPRM1OPRD1OPRK1NPSR1MEN1
SCHEMBL823432 0.75 CNR1 (0.41) OPRM1OPRD1OPRK1NPSR1MEN1
SCHEMBL823448 0.74 CNR1 (0.39) OPRM1OPRD1OPRK1SMN1; SMN2HTT
SCHEMBL823468 0.74 OPRK1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2NPSR1
SCHEMBL823474 0.73 KMT2A (0.48) OPRM1OPRD1OPRK1TP53SMN1; SMN2
SCHEMBL823489 0.73 KMT2A (0.47) OPRM1OPRD1OPRK1TP53HTT
SCHEMBL823485 0.72 ENPP2 (0.41) OPRM1OPRD1OPRK1NPSR1MEN1
SCHEMBL823440 0.72 OPRM1 (0.41) OPRM1OPRD1OPRK1NPSR1CHRM3
SCHEMBL823409 0.69 CCR4 (0.41) TP53SMN1; SMN2HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PLK1 1409/4885OPRM1 2433/4885OPRD1 2542/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD PLK1 1409/4885OPRM1 2433/4885OPRD1 2542/4885

“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.