SCHEMBL23672657

SCHEMBL23672657

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCCN(C)C4)nc4ccsc34)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.41
▸ CHRNA4 P43681 4/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ CHRM1 P11229 2/20 0.40
▸ HDAC4 P56524 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23672933 0.90 CHRM1 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRM1
SCHEMBL23672690 0.90 NPC1 (0.44) CHRM1ADORA2AADORA2BADORA1NPC1
SCHEMBL23672622 0.88 CHRM1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MALT1
SCHEMBL23672813 0.88 CHRM1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3MALT1
SCHEMBL23672605 0.86 KDM4E (0.38) CHRM1ADORA2AADORA2BNPC1RAB9A
SCHEMBL23672930 0.86 CHRM1 (0.42) CHRM1ADORA2AADORA2BADORA1NPC1
SCHEMBL23673147 0.86 CHRM1 (0.42) CHRM1ADORA2AADORA2BADORA1NPC1
SCHEMBL23672670 0.85 CHRM1 (0.51) CHRM1NPC1RAB9AALDH1A1
SCHEMBL23672928 0.85 CHRM1 (0.39) CHRM1NPC1RAB9AALDH1A1PKM
SCHEMBL23672583 0.85 KDM4E (0.39) CHRM1ADORA2AADORA2BADORA1NPC1

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 CHRNB2 18/4885CHRNA4 8/4885CHRNB4 19/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRNB2 18/4885CHRNA4 8/4885CHRNB4 19/4885

“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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