SCHEMBL26360372

SCHEMBL26360372

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 10/20 0.43
▸ SYK P43405 1/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CSF1R P07333 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PDE5A O76074 1/20 0.33

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
SCHEMBL23827792 0.91 CHRM1 (0.49) CHRM1SYKKCNH2CYP11B1CYP11B2
SCHEMBL30211617 0.91 CHRM1 (0.49) CHRM1SYKKCNH2CYP11B1CYP11B2
SCHEMBL26360446 0.89 KCNH2 (0.37) CHRM1KCNH2ALOX5CYP2C9PDE5A
SCHEMBL26360409 0.86 SYK (0.36) CHRM1SYKKCNH2CSF1RPDE5A
SCHEMBL23827790 0.81 KCNH2 (0.43) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL30211606 0.81 KCNH2 (0.43) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL23827760 0.80 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL30211584 0.80 KCNH2 (0.44) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL26360356 0.77 CHRM1 (0.40) CHRM1KCNH2CYP11B1CYP11B2ALOX5
SCHEMBL23843691 0.77 CHRM1 (0.42) CHRM1SYKKCNH2ALOX5CYP2C9

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-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 — — 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-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 CHRM1 7/4885SYK 2657/4885KCNH2 429/4885

“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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