SCHEMBL20030497

SCHEMBL20030497

Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.77
▸ PDE2A O00408 1/20 0.53
▸ PDE11A Q9HCR9 1/20 0.53

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
SCHEMBL19932586 0.92 CHRM1 (0.64) CHRM1
SCHEMBL23672901 0.89 CHRM1 (0.60) CHRM1PDE2APDE11A
SCHEMBL21545698 0.89 CHRM1 (0.78) CHRM1PDE2APDE11A
SCHEMBL21545785 0.89 CHRM1 (0.78) CHRM1PDE2APDE11A
SCHEMBL19932593 0.89 CHRM1 (0.78) CHRM1PDE2APDE11A
SCHEMBL20031033 0.88 CHRM1 (0.60) CHRM1PDE2APDE11A
SCHEMBL20030774 0.86 CHRM1 (0.69) CHRM1PDE2APDE11A
SCHEMBL19932585 0.85 CHRM1 (0.77) CHRM1PDE2APDE11A
SCHEMBL23673004 0.84 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL23672893 0.84 CHRM1 (0.56) CHRM1PDE2APDE11A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130348-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2021-05-06 — — US disclosed
WO-2018063552-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2018-04-05 — — WO 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 (1 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-20210130348-A1 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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