SCHEMBL23672594

SCHEMBL23672594

O=C(N[C@@H]1CCCOC1)c1cc(Cc2ccc(-c3cscn3)cc2)c2sccc2n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 10/20 0.52
▸ PDE2A O00408 1/20 0.52
▸ PDE11A Q9HCR9 1/20 0.52
▸ CNR2 P34972 1/20 0.41
▸ ADORA2A P29274 3/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ROCK2 O75116 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
SCHEMBL23672801 1.00 CHRM1 (0.52) CHRM1PDE2APDE11ACNR2ADORA2A
SCHEMBL23672567 0.95 CHRM1 (0.56) CHRM1PDE2APDE11AROCK2
SCHEMBL23672857 0.95 CHRM1 (0.56) CHRM1PDE2APDE11AROCK2
SCHEMBL23672863 0.92 CHRM1 (0.51) CHRM1PDE2APDE11AADORA2AADORA2B
SCHEMBL23673051 0.90 CHRM1 (0.53) CHRM1PDE2APDE11ACNR2ADORA2A
SCHEMBL23673153 0.90 CHRM1 (0.47) CHRM1PDE2APDE11AADORA2AADORA2B
SCHEMBL23672930 0.88 CHRM1 (0.42) CHRM1PDE2APDE11ACNR2ADORA2A
SCHEMBL23673147 0.88 CHRM1 (0.42) CHRM1PDE2APDE11ACNR2ADORA2A
SCHEMBL23672902 0.87 CHRM1 (0.53) CHRM1PDE2APDE11ACNR2ADORA2A
SCHEMBL23672851 0.87 CHRM1 (0.61) CHRM1PDE2APDE11A

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 1/4885PDE2A 513/4885PDE11A 920/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885PDE2A 513/4885PDE11A 920/4885

“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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