SCHEMBL23672773

SCHEMBL23672773

Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC4)nc4ccsc34)cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.49
▸ BRD4 O60885 4/20 0.46
▸ PDE2A O00408 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ ROCK2 O75116 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL23672837 1.00 CHRM1 (0.49) CHRM1BRD4PDE2APDE11AROCK2
SCHEMBL23672691 0.95 CHRM1 (0.45) CHRM1BRD4PDE2APDE11A
SCHEMBL23672688 0.95 CHRM1 (0.54) CHRM1BRD4PDE2APDE11A
SCHEMBL23672648 0.90 CHRM1 (0.57) CHRM1PDE2APDE11A
SCHEMBL23672871 0.90 CHRM1 (0.50) CHRM1BRD4PDE2APDE11A
SCHEMBL23672905 0.87 CHRM1 (0.44) CHRM1BRD4
SCHEMBL23672616 0.85 CHRM1 (0.49) CHRM1BRD4PDE2APDE11A
SCHEMBL23672639 0.85 CHRM1 (0.46) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672812 0.85 CHRM1 (0.46) CHRM1PDE2APDE11AROCK2KMT2A
SCHEMBL23672861 0.84 CHRM1 (0.45) 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 1/4885BRD4 479/4885PDE2A 513/4885
US-11111251-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885BRD4 479/4885PDE2A 513/4885

“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.

Send feedback