SCHEMBL23672797

SCHEMBL23672797

O=C(NC1CCOCC1)c1ccc(Cc2cc(C(=O)NC3CCOCC3)nc3ccsc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ CHRM1 P11229 4/20 0.47
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP10 P09238 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE7A Q13946 1/20 0.40

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
SCHEMBL23672850 0.88 CHRM1 (0.54) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23673016 0.86 KMT2A (0.43) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672634 0.86 CHRM1 (0.48) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23673010 0.86 CHRM1 (0.50) BRD4CHRM1ADORA2AADORA2BPDE4B
SCHEMBL23673078 0.86 CHRM1 (0.47) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672670 0.85 CHRM1 (0.51) BRD4CHRM1KDM4ENPC1RAB9A
SCHEMBL23673051 0.85 CHRM1 (0.53) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23673027 0.84 ADORA2A (0.40) BRD4ADORA2AADORA1ADORA2B
SCHEMBL23673030 0.84 CHRM1 (0.50) BRD4CHRM1ADORA2AADORA1ADORA2B
SCHEMBL23672912 0.84 CHRM1 (0.69) BRD4CHRM1

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 BRD4 479/4885CHRM1 1/4885ADORA2A 62/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 BRD4 479/4885CHRM1 1/4885ADORA2A 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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