SCHEMBL23672600

SCHEMBL23672600

Cc1ccc(Cc2cc(C(=O)NC3CC4(COC4)C3)nc3ccsc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.43
▸ CHRM1 P11229 4/20 0.40
▸ ADORA2A P29274 2/20 0.37
▸ ADORA2B P29275 1/20 0.35
▸ TYK2 P29597 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23672796 0.89 GABRA1 (0.40) GABRA1CHRM1ADORA2AADORA2B
SCHEMBL23672630 0.89 ADORA2A (0.42) GABRA1CHRM1ADORA2AADORA2B
SCHEMBL23673010 0.87 CHRM1 (0.50) GABRA1CHRM1ADORA2AADORA2B
SCHEMBL23673068 0.86 CHRM1 (0.49) CHRM1
SCHEMBL23672695 0.86 CHRM1 (0.58) CHRM1
SCHEMBL23672700 0.85 CHRM1 (0.45) GABRA1CHRM1ADORA2A
SCHEMBL23672920 0.85 CHRM1 (0.45) GABRA1CHRM1ADORA2A
SCHEMBL23672765 0.85 ADORA2A (0.47) CHRM1ADORA2AADORA2B
SCHEMBL23673137 0.85 CHRM1 (0.48) GABRA1CHRM1ADORA2AADORA2B
SCHEMBL23672705 0.84 ADORA2A (0.39) CHRM1ADORA2AADORA2B

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 94/4885CHRM1 1/4885ADORA2A 62/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 GABRA1 94/4885CHRM1 1/4885ADORA2A 62/4885

“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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