SCHEMBL28601566

SCHEMBL28601566

CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cccc(OCC(F)(F)F)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.59
BTK Q06187 3/20 0.53
JAK3 P52333 2/20 0.53
PDE10A Q9Y233 3/20 0.51
SYK P43405 2/20 0.50
KIF18A Q8NI77 1/20 0.50
AURKA O14965 3/20 0.46
PDPK1 O15530 3/20 0.46
AURKB Q96GD4 3/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
RET P07949 3/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL28601568 1.00 MAP4K4 (0.59) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL27938543 0.85 MAP4K4 (0.62) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL23104518 0.81 MAP4K4 (0.66) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL12804703 0.81 MAP4K4 (0.60) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL16765873 0.81 KIF18A (0.62) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL16765875 0.81 KIF18A (0.62) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL15609396 0.80 MAP4K4 (0.58) MAP4K4BTKJAK3PDE10ASYK
SCHEMBL28601565 0.80 ACACB (0.42) MAP4K4
SCHEMBL1351335 0.79 ACACB (0.52) MAP4K4PDE10ASYKITGB2ICAM1
SCHEMBL29689898 0.79 ACACB (0.52) MAP4K4PDE10ASYKITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110287-B2 Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2024-10-08 US disclosed
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN 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-12110287-B2 Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A MAP4K4 2606/4885BTK 2097/4885JAK3 4671/4885

“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.