SCHEMBL23672858

SCHEMBL23672858

O=C(NCC1CCOC1)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.51
▸ ADORA2B P29275 4/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ METTL3 Q86U44 1/20 0.38
▸ GLS O94925 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL23672985 0.95 CHRM1 (0.49) CHRM1ADORA2BADORA2A
SCHEMBL23673035 0.87 CHRM1 (0.46) CHRM1
SCHEMBL23672665 0.87 ADORA2A (0.42) CHRM1ADORA2BADORA2AMETTL3NAMPT
SCHEMBL23672655 0.86 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL23672787 0.86 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL23673047 0.85 SMN1; SMN2 (0.49) CHRM1
SCHEMBL23672862 0.85 SMN1; SMN2 (0.49) CHRM1
SCHEMBL23672850 0.84 CHRM1 (0.54) CHRM1ADORA2BADORA2APDE2APDE11A
SCHEMBL23672776 0.84 CHRM1 (0.62) CHRM1PDE2APDE11A
SCHEMBL23672721 0.84 CHRM1 (0.71) 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 1/4885ADORA2B 228/4885ADORA2A 62/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885ADORA2B 228/4885ADORA2A 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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