SCHEMBL23673078

SCHEMBL23673078

Cc1ncc(Cc2cc(C(=O)NC3CCOCC3)nc3ccsc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.47
▸ BRD4 O60885 1/20 0.42
▸ ADORA2A P29274 5/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ ADORA2B P29275 3/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL23673010 0.91 CHRM1 (0.50) CHRM1BRD4ADORA2APDE4BPDE7A
SCHEMBL23672804 0.87 CHRM1 (0.47) CHRM1
SCHEMBL23672647 0.87 CHRM1 (0.54) CHRM1
SCHEMBL23672673 0.86 CHRM1 (0.42) CHRM1BRD4ADORA2APDE4BPDE7A
SCHEMBL23672920 0.86 CHRM1 (0.45) CHRM1ADORA2AHPGDSPARP1
SCHEMBL23672700 0.86 CHRM1 (0.45) CHRM1ADORA2AHPGDSPARP1
SCHEMBL23672797 0.86 BRD4 (0.48) CHRM1BRD4ADORA2APDE4BPDE7A
SCHEMBL23673018 0.85 CYP3A4 (0.48) CHRM1ADORA2AADORA2BSCN9A
SCHEMBL23672850 0.84 CHRM1 (0.54) CHRM1BRD4ADORA2AADORA2BNPC1
SCHEMBL23672619 0.83 CHRM1 (0.47) 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 CHRM1 1/4885BRD4 479/4885ADORA2A 62/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885BRD4 479/4885ADORA2A 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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