SCHEMBL23672985

SCHEMBL23672985

O=C(NCC1CCOCC1)c1cc(Cc2ccc(-c3nccs3)cc2)c2sccc2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.49
▸ ADORA2A P29274 3/20 0.46
▸ ADORA2B P29275 3/20 0.46
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ AOC2 O75106 1/20 0.38
▸ EIF4E P06730 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
SCHEMBL23672858 0.95 CHRM1 (0.51) CHRM1ADORA2AADORA2B
SCHEMBL23673035 0.89 CHRM1 (0.46) CHRM1NPC1RAB9A
SCHEMBL23672850 0.88 CHRM1 (0.54) CHRM1ADORA2AADORA2BNPC1RAB9A
SCHEMBL23673047 0.86 SMN1; SMN2 (0.49) CHRM1NPC1RAB9A
SCHEMBL23672733 0.86 ADORA2A (0.46) CHRM1ADORA2AADORA2BHIF1AAOC2
SCHEMBL23672862 0.86 SMN1; SMN2 (0.49) CHRM1NPC1RAB9A
SCHEMBL23672772 0.86 SMN1; SMN2 (0.46) CHRM1NPC1RAB9A
SCHEMBL23672938 0.85 CHRM1 (0.58) CHRM1ADORA2AADORA2BNPC1RAB9A
SCHEMBL23672787 0.84 CHRM1 (0.56) CHRM1RAB9A
SCHEMBL23672655 0.84 CHRM1 (0.56) CHRM1RAB9A

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 1/4885ADORA2A 62/4885ADORA2B 228/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885ADORA2A 62/4885ADORA2B 228/4885

“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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