SCHEMBL23545109

SCHEMBL23545109

Ic1ccc(N[C@H]2C[C@H]3CNC[C@H]3C2)nn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ IL1B P01584 4/20 0.33
▸ CHRM2 P08172 3/20 0.32
▸ CHRM4 P08173 3/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL23545062 1.00 HRH3 (0.33) HRH3IL1BCHRM2CHRM4KDM1A
SCHEMBL20936804 1.00 HRH3 (0.33) HRH3IL1BCHRM2CHRM4KDM1A
SCHEMBL20936943 1.00 HRH3 (0.33) HRH3IL1BCHRM2CHRM4KDM1A
SCHEMBL20936982 0.81 ALDH1A1 (0.42) HRH3IL1BJAK2JAK1
SCHEMBL23545106 0.81 ALDH1A1 (0.42) HRH3IL1BJAK2JAK1
SCHEMBL29919345 0.81 ALDH1A1 (0.42) HRH3IL1BJAK2JAK1
Hydrochloric Acid SCHEMBL23523614 0.79 ALDH1A1 (0.41) HRH3IL1BJAK2JAK1
Hydrochloric Acid SCHEMBL31119102 0.79 ALDH1A1 (0.41) HRH3IL1BJAK2JAK1
Hydrochloric Acid SCHEMBL23523613 0.79 ALDH1A1 (0.41) HRH3IL1BJAK2JAK1
Hydrochloric Acid SCHEMBL23523611 0.79 ALDH1A1 (0.41) HRH3IL1BJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 HRH3 87/4885IL1B 4692/4885CHRM2 1/4885
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 HRH3 87/4885IL1B 4692/4885CHRM2 1/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 HRH3 87/4885IL1B 4692/4885CHRM2 1/4885
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 HRH3 87/4885IL1B 4692/4885CHRM2 1/4885

“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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