SCHEMBL25632552

SCHEMBL25632552

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.56
▸ CHRM2 P08172 8/20 0.56
▸ CCNT1 O60563 3/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ CDK9 P50750 2/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ DGAT2 Q96PD7 3/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL23956976 1.00 CHRM4 (0.56) CHRM4CHRM2CCNT1CYP1A2CYP3A4
SCHEMBL30403430 1.00 CHRM4 (0.56) CHRM4CHRM2CCNT1CYP1A2CYP3A4
SCHEMBL25506910 0.86 CHRM4 (0.56) CHRM4CHRM2CCNT1CYP1A2CYP3A4
SCHEMBL25506605 0.86 CHRM4 (0.56) CHRM4CHRM2CCNT1CYP1A2CYP3A4
SCHEMBL30382812 0.86 CHRM4 (0.56) CHRM4CHRM2CCNT1CYP1A2CYP3A4
SCHEMBL23932221 0.86 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932216 0.86 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932218 0.86 CHRM4 (0.62) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL30456213 0.82 HDAC1 (0.43) CCNT1HDAC1HDAC2CDK9USP30
SCHEMBL23932280 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — 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 (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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 CHRM4 3/4885CHRM2 2/4885CCNT1 2164/4885

“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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