SCHEMBL23827792

SCHEMBL23827792

COc1cc2ncn([C@H]3CCOC[C@@H]3O)c(=O)c2cc1Cc1ccc(-c2cnn(C)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.49
▸ KCNH2 Q12809 5/20 0.43
▸ ALOX5 P09917 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SYK P43405 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PDE11A Q9HCR9 1/20 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
SCHEMBL30211617 1.00 CHRM1 (0.49) CHRM1KCNH2ALOX5CYP2C9SYK
SCHEMBL26360372 0.91 CHRM1 (0.43) CHRM1KCNH2ALOX5CYP2C9SYK
SCHEMBL30211606 0.90 KCNH2 (0.43) CHRM1KCNH2ALOX5CYP2C9PDE11A
SCHEMBL23827790 0.90 KCNH2 (0.43) CHRM1KCNH2ALOX5CYP2C9PDE11A
SCHEMBL30211584 0.89 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL23827760 0.89 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL23843691 0.86 CHRM1 (0.42) CHRM1KCNH2ALOX5CYP2C9SYK
SCHEMBL30211669 0.86 CHRM1 (0.42) CHRM1KCNH2ALOX5CYP2C9SYK
SCHEMBL30211626 0.84 CHRM1 (0.51) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL23827746 0.84 CHRM1 (0.51) CHRM1KCNH2ALOX5CYP2C9CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 CHRM1 7/4885KCNH2 429/4885ALOX5 1501/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 CHRM1 9/4885KCNH2 436/4885ALOX5 1529/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 CHRM1 9/4885KCNH2 436/4885ALOX5 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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