SCHEMBL23672756

SCHEMBL23672756

CC1CC(NC(=O)c2cc(Cc3ccc(-c4cncs4)cc3)c3sccc3n2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 5/20 0.41
▸ ADORA2A P29274 7/20 0.37
▸ ADORA2B P29275 5/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ ADORA1 P30542 2/20 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
SCHEMBL23672827 0.89 CD38 (0.41) CD38ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23672848 0.88 CD38 (0.41) CD38ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23673136 0.86 CHRM1 (0.47) CD38ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23672634 0.86 CHRM1 (0.48) CD38ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23672615 0.85 CHRM1 (0.49) CD38CHRM1
SCHEMBL23672727 0.85 CHRM1 (0.44) CD38ADORA2ACHRM1ADORA1
SCHEMBL23672569 0.85 CHRM1 (0.44) CD38ADORA2ACHRM1ADORA1
SCHEMBL23672879 0.84 CD38 (0.39) CD38ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23673079 0.84 CHRM1 (0.38) ADORA2AADORA2BCHRM1ADORA1
SCHEMBL23672751 0.84 CHRM1 (0.53) CHRM1

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 CD38 1821/4885ADORA2A 62/4885ADORA2B 228/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CD38 1821/4885ADORA2A 62/4885ADORA2B 228/4885

“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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