SCHEMBL25632554

SCHEMBL25632554

Fc1ccc(Cl)c(-c2ccc(N[C@@H]3C[C@H]4CNC[C@H]4C3)nn2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 14/20 0.61
▸ CHRM2 P08172 9/20 0.61
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ CNR2 P34972 1/20 0.40
▸ IL1B P01584 5/20 0.40
▸ TNF P01375 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ ACHE P22303 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
SCHEMBL23957010 1.00 CHRM4 (0.61) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
Hydrochloric Acid SCHEMBL29919565 0.99 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
Hydrochloric Acid SCHEMBL29919290 0.99 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
Hydrochloric Acid SCHEMBL23932230 0.99 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL29864666 0.83 CHRM4 (0.48) CHRM4CHRM2CNR2IL1BTNF
SCHEMBL25506898 0.82 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL30382372 0.82 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL25506606 0.82 CHRM4 (0.60) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
Hydrochloric Acid SCHEMBL29919567 0.81 CHRM4 (0.59) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
Hydrochloric Acid SCHEMBL25197633 0.81 CHRM4 (0.59) 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 2/4885CYP1A2 2399/4885

“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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