SCHEMBL23522930

SCHEMBL23522930

CC(C)(C)CCN1C[C@H]2CC(Nc3ccc(-c4cc(F)ccc4Cl)nn3)C[C@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 18/20 0.66
▸ CHRM2 P08172 10/20 0.66
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ ACHE P22303 1/20 0.44
▸ CYP2D6 P10635 1/20 0.40
▸ TNF P01375 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ CNR2 P34972 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
SCHEMBL23522929 1.00 CHRM4 (0.66) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23522927 1.00 CHRM4 (0.66) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523513 0.93 CHRM4 (0.56) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL20937491 0.93 CHRM4 (0.56) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523511 0.93 CHRM4 (0.56) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523510 0.93 CHRM4 (0.56) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932280 0.88 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932282 0.88 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932285 0.88 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23956990 0.88 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116902-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-04-11 — — US claimed
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2022-07-07 — — US claimed
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2021-06-24 — — US claimed
US-12577234-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2026-03-17 — — US disclosed
US-20240116902-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-04-11 — — US disclosed
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 — — US disclosed
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2022-07-07 — — US disclosed
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-04-12 — — US disclosed
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2021-06-24 — — 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 (6 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-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP1A2 2151/4885
US-20240116902-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP1A2 2151/4885
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP1A2 2151/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP1A2 2151/4885
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 CHRM4 3/4885CHRM2 1/4885CYP1A2 2151/4885
US-12577234-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM3, CHRM4, CHRM2 CHRM4 2/4885CHRM2 3/4885CYP1A2 1365/4885

“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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