SCHEMBL23672812

SCHEMBL23672812

Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC4)nc4ccsc34)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.46
▸ PDE2A O00408 1/20 0.45
▸ PDE11A Q9HCR9 1/20 0.45
▸ ROCK2 O75116 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL23672639 1.00 CHRM1 (0.46) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672930 0.95 CHRM1 (0.42) CHRM1PDE2APDE11ANPC1RAB9A
SCHEMBL23673147 0.95 CHRM1 (0.42) CHRM1PDE2APDE11ANPC1RAB9A
SCHEMBL23672670 0.95 CHRM1 (0.51) CHRM1PDE2APDE11ANPC1RAB9A
SCHEMBL23672671 0.90 CHRM1 (0.57) CHRM1PDE2APDE11A
SCHEMBL23672896 0.90 CHRM1 (0.50) CHRM1PDE2APDE11A
SCHEMBL23672690 0.88 NPC1 (0.44) CHRM1KMT2ANPC1RAB9AKDM4E
SCHEMBL23672865 0.88 CHRM1 (0.45) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672861 0.88 CHRM1 (0.45) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672567 0.87 CHRM1 (0.56) CHRM1PDE2APDE11AROCK2KMT2A

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 1/4885PDE2A 513/4885PDE11A 920/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885PDE2A 513/4885PDE11A 920/4885

“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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