SCHEMBL23672933

SCHEMBL23672933

Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCN(C)CC4)nc4ccsc34)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DVL1 O14640 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ CASP2 P42575 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23672690 0.92 NPC1 (0.44) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23672657 0.90 CHRNB2 (0.41) CHRM1NPC1RAB9AALDH1A1CHRNB2
SCHEMBL23672670 0.90 CHRM1 (0.51) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23673104 0.88 CHRM1 (0.47) CHRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23672605 0.88 KDM4E (0.38) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23672583 0.87 KDM4E (0.39) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23672812 0.87 CHRM1 (0.46) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23672786 0.87 CHRM1 (0.44) CHRM1GSK3BDYRK1ACHRNB2CHRNB4
SCHEMBL23672639 0.87 CHRM1 (0.46) CHRM1NPC1RAB9AKDM4EALDH1A1
SCHEMBL23672928 0.86 CHRM1 (0.39) CHRM1NPC1RAB9AALDH1A1DVL1

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 1/4885NPC1 2594/4885RAB9A 1449/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885NPC1 2594/4885RAB9A 1449/4885

“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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