SCHEMBL23698892

SCHEMBL23698892

COc1c(C(=O)N[C@H]2CCOC[C@@H]2O)cc(B2OC(C)(C)C(C)(C)O2)c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.36
▸ PDE2A O00408 1/20 0.32
▸ PDE11A Q9HCR9 1/20 0.32

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
SCHEMBL23698866 0.82 CHRM1 (0.40) CHRM1PDE2APDE11A
SCHEMBL20636616 0.79 CHRM1 (0.35) CHRM1
SCHEMBL12074157 0.77 CHRM1 (0.39) CHRM1PDE2APDE11A
SCHEMBL23698954 0.77 CHRM1 (0.39) CHRM1
SCHEMBL23698878 0.77 ALDH1A1 (0.34) —
SCHEMBL23712085 0.76 CHRM1 (0.36) CHRM1
SCHEMBL16937028 0.74 CHRM1 (0.61) CHRM1
SCHEMBL23698858 0.72 CHRM1 (0.51) CHRM1PDE2APDE11A
SCHEMBL23698863 0.71 CHRM1 (0.50) CHRM1PDE2APDE11A
SCHEMBL23698865 0.71 CHRM1 (0.50) CHRM1PDE2APDE11A

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-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 — — US disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 — — EP 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-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 CHRM1 576/4885PDE2A 76/4885PDE11A 1221/4885

“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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