SCHEMBL23672630

SCHEMBL23672630

Cc1ccc(Cc2cc(C(=O)NC3COC3)nc3ccsc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ CHRM1 P11229 3/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ SCN9A Q15858 2/20 0.37
▸ PARP1 P09874 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
SCHEMBL23672700 0.93 CHRM1 (0.45) ADORA2ACHRM1GABRA1PARP1
SCHEMBL23672920 0.93 CHRM1 (0.45) ADORA2ACHRM1GABRA1PARP1
SCHEMBL23673010 0.91 CHRM1 (0.50) ADORA2AADORA2BCHRM1BRD4GABRA1
SCHEMBL23672765 0.89 ADORA2A (0.47) ADORA2AADORA2BCHRM1
SCHEMBL23672600 0.89 GABRA1 (0.43) ADORA2AADORA2BCHRM1GABRA1
SCHEMBL23672705 0.88 ADORA2A (0.39) ADORA2AADORA2BCHRM1SCN9A
SCHEMBL23672796 0.87 GABRA1 (0.40) ADORA2AADORA2BCHRM1GABRA1SCN9A
SCHEMBL23672614 0.85 CHRM1 (0.54) CHRM1GABRA1
SCHEMBL23672595 0.85 ADORA2A (0.44) ADORA2AADORA2BCHRM1GABRA1SCN9A
SCHEMBL23673025 0.84 CHRM1 (0.49) 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 ADORA2A 62/4885ADORA2B 228/4885CHRM1 1/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 ADORA2A 62/4885ADORA2B 228/4885CHRM1 1/4885

“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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