SCHEMBL23672853

SCHEMBL23672853

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4ccsc34)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL23672888 0.88 CHRM1 (0.40) CHRM1PDE2APDE11A
SCHEMBL23672670 0.88 CHRM1 (0.51) CHRM1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23672881 0.87 CHRM1 (0.46) CHRM1PDE2APDE11A
SCHEMBL23672754 0.87 CHRM1 (0.56) CHRM1
SCHEMBL23672639 0.86 CHRM1 (0.46) CHRM1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23672812 0.86 CHRM1 (0.46) CHRM1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23672690 0.86 NPC1 (0.44) CHRM1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23673137 0.85 CHRM1 (0.48) CHRM1
SCHEMBL23672583 0.85 KDM4E (0.39) CHRM1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23672906 0.85 KDM4E (0.41) KDM4EALDH1A1NPC1RAB9APAX8

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 1/4885KDM4E 1530/4885ALDH1A1 3782/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885KDM4E 1530/4885ALDH1A1 3782/4885

“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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