SCHEMBL30997648

SCHEMBL30997648

CN1C2CCC1CN(Nc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ CHRM3 P20309 7/20 0.40
▸ CHRM1 P11229 7/20 0.40
▸ CHRM2 P08172 6/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL29580440 1.00 SLC6A2 (0.42) SLC6A2SLC6A3CHRM3CHRM1CHRM2
SCHEMBL18040070 0.79 SIGMAR1 (0.38) SIGMAR1TSHR
SCHEMBL30997628 0.76 HRH3 (0.41) CHRM3CHRM4CHRNA7HTR3A
SCHEMBL30997629 0.74 HRH3 (0.40) SLC6A2SLC6A3CHRM3CHRM1CHRM2
SCHEMBL27602202 0.72 ALDH1A1 (0.41) MEN1TSHRKMT2A
SCHEMBL30997610 0.71 CHRM3 (0.35) SLC6A2SLC6A3CHRM3CHRM1CHRM2
SCHEMBL7464902 0.70 CHRM4 (0.54) SLC6A2SLC6A3CHRM3CHRM1CHRM2
SCHEMBL30885149 0.69 ACHE (0.47) SIGMAR1MEN1LMNATSHRKMT2A
SCHEMBL30730934 0.69 ACHE (0.42) SLC6A4LMNA
SCHEMBL31053471 0.69 ACHE (0.43) OPRM1OPRD1OPRK1MEN1LMNA

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 SLC6A2 4807/4885SLC6A3 4725/4885CHRM3 4882/4885

“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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