SCHEMBL30418901

SCHEMBL30418901

Cc1cnn(-c2ccnc(C3CCC(F)(F)CC3)c2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 4/20 0.37
TSHR P16473 1/20 0.37
FSHR P23945 1/20 0.37
ATR Q13535 1/20 0.35
GSK3B P49841 3/20 0.34
DYRK1A Q13627 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HCRTR2 O43614 2/20 0.33
HCRTR1 O43613 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPT P10636 2/20 0.33
DGAT1 O75907 1/20 0.33
RORC P51449 2/20 0.32
CCR5 P51681 1/20 0.32
SCD O00767 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3A P49840 1/20 0.31

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
SCHEMBL26152072 0.91 TSHR (0.37) TSHRFSHRATRGSK3BDYRK1A
SCHEMBL30419282 0.78 ATR (0.55) CYP46A1ATRGSK3BDYRK1ARORC
SCHEMBL29263081 0.77 CYP46A1 (0.38) CYP46A1GSK3BDYRK1ASCN10AHCRTR2
SCHEMBL25187364 0.75 CYP46A1 (0.38) CYP46A1SCN10AHCRTR2SCD
SCHEMBL26152164 0.75 AAK1 (0.36) TSHRFSHRATRSCN10ATGFBR1
SCHEMBL30417959 0.75 AAK1 (0.36) TSHRFSHRATRSCN10ATGFBR1
SCHEMBL30445285 0.74 GSK3B (0.38) TSHRFSHRATRGSK3BSCN10A
SCHEMBL30419312 0.74 ATR (0.37) CYP46A1TSHRFSHRATRSCN10A
SCHEMBL30417608 0.74 ATR (0.41) TSHRFSHRATRGSK3BSCN10A
SCHEMBL26152068 0.74 ATR (0.41) TSHRFSHRATRGSK3BSCN10A

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-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-04-24 US disclosed
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO 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-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B CYP46A1 3841/4885TSHR 1204/4885FSHR 4018/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B CYP46A1 3841/4885TSHR 1204/4885FSHR 4018/4885

“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.