SCHEMBL30997650

SCHEMBL30997650

CN1CC2CC1CN2Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ HSD11B1 P28845 3/20 0.35

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
SCHEMBL30997610 0.86 CHRM3 (0.35) CHRNA7KCNH2CHRM2CHRM1CHRM3
SCHEMBL2390266 0.79 TDP1 (0.31) —
SCHEMBL21057055 0.72 ADORA3 (0.44) CHRNA7KCNH2
SCHEMBL31053525 0.70 TDP1 (0.34) CHRNA7CHRM2CHRM4CHRM5
SCHEMBL6859733 0.70 TDP1 (0.39) —
SCHEMBL19381894 0.69 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL26235665 0.69 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL26554807 0.69 CHRNA7 (0.33) CHRNA7KCNH2HSD11B1
SCHEMBL18513255 0.67 — —
SCHEMBL10206098 0.67 — —

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 — — 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B CHRNA7 4854/4885KCNH2 4857/4885CHRM2 4884/4885

“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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