SCHEMBL31395014

SCHEMBL31395014

C=CC(=O)N1CCO[C@@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.50
▸ GLRA1 P23415 1/20 0.44
▸ KRAS P01116 3/20 0.43
▸ VNN1 O95497 2/20 0.36
▸ BTK Q06187 6/20 0.35
▸ JAK3 P52333 4/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31395068 1.00 PDK1 (0.50) PDK1GLRA1KRASVNN1BTK
SCHEMBL21641656 1.00 PDK1 (0.50) PDK1GLRA1KRASVNN1BTK
SCHEMBL6043841 0.84 PDK1 (0.51) PDK1GLRA1KRASVNN1NPC1
SCHEMBL28338015 0.81 PDK1 (0.49) PDK1GLRA1KRASVNN1JAK3
SCHEMBL8034011 0.78 PDK1 (0.53) PDK1GLRA1VNN1NPC1ALDH1A1
SCHEMBL20839803 0.77 PDK1 (0.57) PDK1KRASBTKJAK3
SCHEMBL9700171 0.77 SMN1; SMN2 (0.46) PDK1NPC1ALDH1A1NPSR1
SCHEMBL18125963 0.77 PDK1 (0.56) PDK1GLRA1VNN1NPC1ALDH1A1
SCHEMBL3991342 0.77 PDK1 (0.56) PDK1GLRA1VNN1NPC1ALDH1A1
SCHEMBL2933380 0.77 PDK1 (0.56) PDK1GLRA1VNN1NPC1ALDH1A1

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-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2025-01-09 — — 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-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 PDK1 877/4885GLRA1 2807/4885KRAS 548/4885

“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.

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