SCHEMBL26151663

SCHEMBL26151663

CC(C)(C)c1ccc(C2CCOCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
NOTUM Q6P988 2/20 0.36
MAPT P10636 1/20 0.35
CNR2 P34972 5/20 0.34
MAP3K12 Q12852 2/20 0.33
DYRK1A Q13627 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
SCHEMBL12459121 0.88 NOTUM (0.40) PIK3CANOTUM
SCHEMBL19625275 0.83 L3MBTL1 (0.38) NOTUMCNR2ALDH1A1
SCHEMBL13141206 0.81 NOTUM (0.36) NOTUM
SCHEMBL13179082 0.80 TRPV3 (0.36) NOTUMMAPTALDH1A1
SCHEMBL21981194 0.80 TRPV3 (0.36) NOTUMMAPTALDH1A1
SCHEMBL6919321 0.77 MAPK1 (0.46) PIK3CDPIK3CANOTUMMAPK1
SCHEMBL26152350 0.77 OPRL1 (0.41) PIK3CAMAPTCNR2MAPK1
SCHEMBL23997051 0.76 CNR2 (0.42) MAPTCNR2LRRK2ALDH1A1
SCHEMBL25292351 0.76 CHRNB2 (0.34)
SCHEMBL23997050 0.75 CNR2 (0.43) CNR2ALDH1A1

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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B PDE9A 348/4885PIK3CD 2617/4885PIK3CA 2054/4885

“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.