SCHEMBL23672813

SCHEMBL23672813

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCCN(C)C4)nc4ccsc34)cc2)co1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.40
▸ CHRNB2 P17787 4/20 0.40
▸ CHRNA4 P43681 4/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL23672786 0.91 CHRM1 (0.44) CHRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23672576 0.91 NPC1 (0.43) CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672657 0.88 CHRNB2 (0.41) CHRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23673030 0.87 CHRM1 (0.50) CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672735 0.86 CHRM1 (0.41) CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672622 0.85 CHRM1 (0.47) CHRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23672865 0.85 CHRM1 (0.45) CHRM1
SCHEMBL23672861 0.85 CHRM1 (0.45) CHRM1
SCHEMBL23672872 0.84 CHRM1 (0.49) CHRM1
SCHEMBL23673079 0.84 CHRM1 (0.38) CHRM1ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-09-07 — — US claimed
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 — — US claimed
EP-3416639-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 UNIV VANDERBILT (US) 2022-06-08 — — EP disclosed
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 VANDERBILT UNIVERSITY (US) 2021-09-07 — — US disclosed
US-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-07-29 — — 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-20210230180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRNB2 18/4885CHRNA4 8/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRNB2 18/4885CHRNA4 8/4885

“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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