SCHEMBL30211579

SCHEMBL30211579

CNC(=O)c1ccc(Cc2cc3c(=O)n([C@H]4CCOC[C@@H]4O)cnc3cc2OC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.39
▸ MMP13 P45452 1/20 0.37
▸ CHRM1 P11229 11/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ AXL P30530 1/20 0.35
▸ EGFR P00533 2/20 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
SCHEMBL23827820 1.00 KCNH2 (0.39) KCNH2MMP13CHRM1HDAC3HDAC4
SCHEMBL26360364 0.91 KCNH2 (0.39) KCNH2CHRM1HDAC3HDAC4HDAC1
SCHEMBL23827737 0.84 CHRM1 (0.43) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL30211661 0.84 CHRM1 (0.43) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL23827806 0.84 CHRM1 (0.43) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL30211624 0.84 CHRM1 (0.43) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL23827757 0.84 CHRM1 (0.43) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL20541787 0.82 CHRM1 (0.42) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL30990092 0.82 CHRM1 (0.42) KCNH2CHRM1MAPK1ALOX5CYP2C9
SCHEMBL23843691 0.80 CHRM1 (0.42) KCNH2CHRM1ALOX5CYP2C9

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-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 — — US disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 — — 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 (2 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 429/4885MMP13 4286/4885CHRM1 7/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 KCNH2 436/4885MMP13 4259/4885CHRM1 9/4885

“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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