SCHEMBL23932169

SCHEMBL23932169

O=C(C1CCOCC1)N1C[C@H]2C[C@H](Nc3ccc(-c4cc(F)ccc4Cl)nn3)C[C@H]2C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 18/20 0.70
▸ CHRM2 P08172 11/20 0.70
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ ACHE P22303 1/20 0.48
▸ CYP2D6 P10635 1/20 0.44
▸ ABL1 P00519 1/20 0.40
▸ KMO O15229 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
SCHEMBL23932171 1.00 CHRM4 (0.70) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23956963 1.00 CHRM4 (0.70) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932166 1.00 CHRM4 (0.70) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932218 0.85 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932216 0.85 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932221 0.85 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932246 0.84 CHRM4 (0.75) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932245 0.84 CHRM4 (0.75) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932244 0.84 CHRM4 (0.75) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523105 0.82 CHRM4 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109873-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-04-04 — — US disclosed
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2023-05-18 — — US disclosed
EP-4139302-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 — — EP disclosed
WO-2022216655-A1 N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS VANDERBILT UNIVERSITY (US) 2022-10-13 — — WO disclosed
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 — — 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 (3 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CYP1A2 2399/4885
US-20240109873-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CYP1A2 2251/4885
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CYP1A2 1654/4885

“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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