SCHEMBL3489553

SCHEMBL3489553

CC(C)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
KCNA3 P22001 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
DRD2 P14416 4/20 0.41
CCR5 P51681 1/20 0.41
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BTK Q06187 1/20 0.39
HSD11B1 P28845 2/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP14 P54578 1/20 0.38
DRD3 P35462 1/20 0.38
EPHX1 P07099 2/20 0.38

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
SCHEMBL12228102 0.92 CTSK (0.51) CTSKKCNA3DRD2CCR5CA1
SCHEMBL3488727 0.86 CTSK (0.48) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL3370047 0.84 CTSK (0.56) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL3489007 0.84 DRD2 (0.55) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL2226210 0.83 CTSK (0.50) CTSKKCNA3DRD2CCR5CA1
SCHEMBL2223734 0.82 CTSK (0.49) CTSKKCNA3DRD2CCR5CA1
SCHEMBL3263447 0.81 HTT (0.41) HTTKMT2A
SCHEMBL16055278 0.81 CTSK (0.51) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL542675 0.81 OPRM1 (0.55) CTSKKCNA3OPRM1OPRD1OPRK1
SCHEMBL7917248 0.81 BTK (0.54) CTSKKCNA3OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075973-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-25 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-20100075973-A1 POLO-LIKE KINASE INHIBITORS PLK2, PLK4, PLK1 CTSK 394/4885KCNA3 3391/4885OPRM1 4123/4885

“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.