SCHEMBL23672789

SCHEMBL23672789

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCCNC4=O)nc4ccsc34)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.37
▸ RAB9A P51151 8/20 0.37
▸ NPC1 O15118 7/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM1 P11229 2/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ KLF5 Q13887 1/20 0.34

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
SCHEMBL23672745 0.98 RAB9A (0.40) RAB9ANPC1SMN1; SMN2CHRM1ALDH1A1
SCHEMBL23672640 0.88 HPGDS (0.36) HPGDSRAB9ANPC1CHRM1
SCHEMBL23672840 0.88 CHRM1 (0.43) HPGDSRAB9ANPC1CHRM1
SCHEMBL23673015 0.86 RAB9A (0.39) RAB9ANPC1CHRM1ALDH1A1
SCHEMBL23672703 0.85 CHRM1 (0.44) HPGDSRAB9ANPC1CHRM1KDM4E
SCHEMBL23672690 0.85 NPC1 (0.44) RAB9ANPC1SMN1; SMN2CHRM1KDM4E
SCHEMBL23672860 0.84 HPGDS (0.42) HPGDSRAB9ANPC1CHRM1
SCHEMBL23672783 0.83 CHRM1 (0.50) CHRM1
SCHEMBL23672709 0.83 CHRM1 (0.51) CHRM1
SCHEMBL23672730 0.82 CHRM1 (0.45) RAB9ANPC1SMN1; SMN2CHRM1

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 HPGDS 4727/4885RAB9A 1449/4885NPC1 2594/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 HPGDS 4727/4885RAB9A 1449/4885NPC1 2594/4885

“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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