SCHEMBL23672899

SCHEMBL23672899

COC1CC(NC(=O)c2cc(Cc3ccc(-c4csc(C)n4)cc3)c3sccc3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CHRM1 P11229 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BLM P54132 1/20 0.35

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
SCHEMBL23672583 0.90 KDM4E (0.39) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672608 0.88 CHRM1 (0.45) ADORA2AADORA2BCHRM1
SCHEMBL23672690 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672933 0.86 CHRM1 (0.43) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672670 0.86 CHRM1 (0.51) NPC1RAB9AKDM4EALDH1A1CHRM1
SCHEMBL23672605 0.85 KDM4E (0.38) NPC1RAB9ASMN1; SMN2ADORA2AADORA2B
SCHEMBL23672601 0.85 CHRM1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23672639 0.85 CHRM1 (0.46) NPC1RAB9AKDM4EALDH1A1CHRM1
SCHEMBL23672812 0.85 CHRM1 (0.46) NPC1RAB9AKDM4EALDH1A1CHRM1
SCHEMBL23672853 0.84 CHRM1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 4 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
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 NPC1 2594/4885RAB9A 1449/4885SMN1; SMN2 972/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 NPC1 2594/4885RAB9A 1449/4885SMN1; SMN2 972/4885

“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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