SCHEMBL23672767

SCHEMBL23672767

C[C@@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(-c3cncs3)cc2)c2sccc2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 9/20 0.49
▸ PDE2A O00408 1/20 0.45
▸ PDE11A Q9HCR9 1/20 0.45
▸ CD38 P28907 1/20 0.38
▸ ADAM17 P78536 4/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP10 P09238 1/20 0.37
▸ GABRA1 P14867 1/20 0.36

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
SCHEMBL23672774 1.00 CHRM1 (0.49) CHRM1PDE2APDE11ACD38ADAM17
SCHEMBL23672569 0.89 CHRM1 (0.44) CHRM1PDE2APDE11ACD38
SCHEMBL23672727 0.89 CHRM1 (0.44) CHRM1PDE2APDE11ACD38
SCHEMBL23672852 0.87 CHRM1 (0.61) CHRM1PDE2APDE11AADAM17MMP3
SCHEMBL23672634 0.87 CHRM1 (0.48) CHRM1PDE2APDE11ACD38
SCHEMBL23672848 0.87 CD38 (0.41) CHRM1PDE2APDE11ACD38
SCHEMBL23673124 0.84 CHRM1 (0.44) CHRM1PDE2APDE11ACD38
SCHEMBL23672665 0.84 ADORA2A (0.42) CHRM1PDE2APDE11ACD38
SCHEMBL23672942 0.84 CHRM1 (0.47) CHRM1PDE2APDE11A
SCHEMBL23672568 0.83 CHRM1 (0.49) CHRM1

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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