SCHEMBL25678504

SCHEMBL25678504

Cc1ccc(N2CC3CC2C3)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 15/20 0.43
CHRNA7 P36544 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAP3K13 O43283 2/20 0.39
DLK1 P80370 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL1108634 0.89 MAP3K12 (0.44) MAP3K12CHRNA7KCNH2GRIN2DGRIN3B
SCHEMBL25685954 0.79 MAP3K12 (0.43) MAP3K12CHRNA7KCNH2MAP3K13DLK1
SCHEMBL15743911 0.79 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL15743920 0.79 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL26151691 0.79 MAP3K12 (0.40) MAP3K12CHRNA7KCNH2
SCHEMBL25147712 0.79 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL15743901 0.79 CHRNA7 (0.66) CHRNA7KCNH2
SCHEMBL25678579 0.77 MAP3K12 (0.42) MAP3K12CHRNA7KCNH2MAP3K13
SCHEMBL1108656 0.76 CHRNB2 (0.58)
SCHEMBL13103767 0.76 CHRNB2 (0.58)

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A MAP3K12 996/4885CHRNA7 143/4885KCNH2 52/4885

“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.