SCHEMBL23672673

SCHEMBL23672673

Cc1ncc(Cc2cc(C(=O)NC3CCOCC3)nc3ccsc23)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ ADORA2A P29274 5/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADORA1 P30542 3/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL23672808 0.92 ADORA2A (0.43) ADORA2AADORA2BNPC1RAB9AADORA1
SCHEMBL23672593 0.87 CHRM1 (0.43) CHRM1
SCHEMBL23672946 0.87 CHRM1 (0.49) CHRM1
SCHEMBL23673078 0.86 CHRM1 (0.47) CHRM1BRD4PDE4BPDE7AADORA2A
SCHEMBL23672885 0.85 CHRM1 (0.39) CHRM1ADORA2AADORA2B
SCHEMBL23673010 0.85 CHRM1 (0.50) CHRM1BRD4PDE4BPDE7AADORA2A
SCHEMBL23672722 0.84 CNR1 (0.43) CHRM1
SCHEMBL23672693 0.84 CHRM1 (0.42) CHRM1SCN9A
SCHEMBL23672982 0.83 CNR1 (0.42) CHRM1
SCHEMBL23672797 0.81 BRD4 (0.48) CHRM1BRD4PDE4BPDE7AADORA2A

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 479/4885PDE4B 296/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885BRD4 479/4885PDE4B 296/4885

“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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