SCHEMBL23672796

SCHEMBL23672796

Cc1ccc(Cc2cc(C(=O)NC3CC(F)(F)C3)nc3ccsc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ ADORA2A P29274 7/20 0.38
▸ CHRM1 P11229 2/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP3A5 P20815 1/20 0.36
▸ ADORA2B P29275 5/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ ABL1 P00519 1/20 0.35

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
SCHEMBL23672600 0.89 GABRA1 (0.43) GABRA1ADORA2ACHRM1ADORA2B
SCHEMBL23672705 0.88 ADORA2A (0.39) SCN9AADORA2ACHRM1SCN7AKCNH2
SCHEMBL23672765 0.87 ADORA2A (0.47) ADORA2ACHRM1ADORA2BADORA1
SCHEMBL23672630 0.87 ADORA2A (0.42) GABRA1SCN9AADORA2ACHRM1ADORA2B
SCHEMBL23673027 0.86 ADORA2A (0.40) SCN9ASCN10AADORA2ASCN7AKCNH2
SCHEMBL23673010 0.86 CHRM1 (0.50) GABRA1ADORA2ACHRM1ADORA2B
SCHEMBL23672970 0.85 CHRM1 (0.54) CHRM1
SCHEMBL23672581 0.85 CHRM1 (0.49) SCN9ASCN10AADORA2ACHRM1
SCHEMBL23672920 0.84 CHRM1 (0.45) GABRA1ADORA2ACHRM1
SCHEMBL23672883 0.84 CHRM1 (0.45) SCN9ASCN10AADORA2ACHRM1SCN7A

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 GABRA1 94/4885SCN9A 1036/4885SCN10A 606/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 GABRA1 94/4885SCN9A 1036/4885SCN10A 606/4885

“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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