SCHEMBL30997629

SCHEMBL30997629

CN1CC2CCC(C1)N2Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.40
▸ CHRM3 P20309 7/20 0.39
▸ CHRM4 P08173 4/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ CHRM1 P11229 5/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34

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 0.74 SLC6A2 (0.42) CHRM3CHRM4OPRM1CHRM1CHRM2
SCHEMBL30997648 0.74 SLC6A2 (0.42) CHRM3CHRM4OPRM1CHRM1CHRM2
SCHEMBL30997628 0.72 HRH3 (0.41) HRH3CHRM3CHRM4TDP1
SCHEMBL30997610 0.71 CHRM3 (0.35) HRH3CHRM3CHRM1CHRM2TDP1
SCHEMBL26241152 0.71 OPRM1 (0.64) HRH3CHRM3OPRM1CHRM1CHRM2
SCHEMBL12049585 0.68 CARM1 (0.49) HRH3CHRM3CHRM4TDP1L3MBTL1
SCHEMBL11773404 0.67 CHRM2 (0.53) HRH3CHRM4OPRM1CHRM2CHRM5
SCHEMBL23889648 0.66 OPRM1 (0.32) OPRM1
SCHEMBL18390335 0.66 OPRM1 (0.32) OPRM1
SCHEMBL30730934 0.66 ACHE (0.42) L3MBTL1

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 HRH3 3166/4885CHRM3 4882/4885CHRM4 4881/4885

“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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