SCHEMBL21224972

SCHEMBL21224972

Fc1ccc(CN2C[C@H]3C(Nc4ccc(-c5cc(F)ccc5Cl)nn4)[C@@H]3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 13/20 0.52
▸ CHRM2 P08172 8/20 0.52
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ KMO O15229 1/20 0.34

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
SCHEMBL21225146 1.00 CHRM4 (0.52) CHRM4CHRM2CYP2D6CYP3A4ACHE
SCHEMBL21225102 1.00 CHRM4 (0.52) CHRM4CHRM2CYP2D6CYP3A4ACHE
SCHEMBL21225147 1.00 CHRM4 (0.52) CHRM4CHRM2CYP2D6CYP3A4ACHE
SCHEMBL29864688 1.00 CHRM4 (0.52) CHRM4CHRM2CYP2D6CYP3A4ACHE
SCHEMBL21224973 1.00 CHRM4 (0.52) CHRM4CHRM2CYP2D6CYP3A4ACHE
SCHEMBL21225120 0.92 CHRM4 (0.49) CHRM4CHRM2CYP2D6ACHE
SCHEMBL21225013 0.92 CHRM4 (0.49) CHRM4CHRM2CYP2D6ACHE
SCHEMBL21225119 0.92 CHRM4 (0.49) CHRM4CHRM2CYP2D6ACHE
SCHEMBL21225017 0.92 CHRM4 (0.49) CHRM4CHRM2CYP2D6ACHE
SCHEMBL21225015 0.92 CHRM4 (0.49) CHRM4CHRM2CYP2D6ACHE

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
EP-3746421-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2023-11-29 — — EP disclosed
US-11414406-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-08-16 — — US disclosed
EP-3746421-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-12-09 — — EP disclosed
US-20200369650-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-11-26 — — US disclosed
WO-2019152809-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-08-08 — — 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 (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-11414406-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP2D6 702/4885
US-20200369650-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP2D6 702/4885

“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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