SCHEMBL23827790

SCHEMBL23827790

COc1cc2ncn([C@H]3CCOC[C@@H]3O)c(=O)c2cc1Cc1ccc(-c2cn(C)nn2)nc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.43
▸ CHRM1 P11229 11/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ BRD4 O60885 2/20 0.35
▸ PDE11A Q9HCR9 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
SCHEMBL30211606 1.00 KCNH2 (0.43) KCNH2CHRM1ALOX5CYP2C9BRD4
SCHEMBL23827760 0.91 KCNH2 (0.44) KCNH2CHRM1ALOX5CYP2C9
SCHEMBL30211584 0.91 KCNH2 (0.44) KCNH2CHRM1ALOX5CYP2C9
SCHEMBL30211617 0.90 CHRM1 (0.49) KCNH2CHRM1ALOX5CYP2C9PDE11A
SCHEMBL23827792 0.90 CHRM1 (0.49) KCNH2CHRM1ALOX5CYP2C9PDE11A
SCHEMBL20541956 0.84 CHRM1 (0.48) KCNH2CHRM1ALOX5CYP2C9BRD4
SCHEMBL30211594 0.84 CHRM1 (0.48) KCNH2CHRM1ALOX5CYP2C9BRD4
SCHEMBL23843691 0.84 CHRM1 (0.42) KCNH2CHRM1ALOX5CYP2C9PDE11A
SCHEMBL30211669 0.84 CHRM1 (0.42) KCNH2CHRM1ALOX5CYP2C9PDE11A
SCHEMBL23827800 0.83 CHRM1 (0.46) KCNH2CHRM1ALOX5CYP2C9BRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 — — US disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 — — US disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 — — US disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 — — US disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 — — US disclosed
EP-3612527-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2022-07-20 — — EP disclosed
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 — — US disclosed
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 — — 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 (4 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-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 KCNH2 429/4885CHRM1 7/4885ALOX5 1501/4885
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 KCNH2 429/4885CHRM1 7/4885ALOX5 1501/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 KCNH2 436/4885CHRM1 9/4885ALOX5 1529/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 KCNH2 436/4885CHRM1 9/4885ALOX5 1529/4885

“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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