SCHEMBL23545106

SCHEMBL23545106

Clc1ccc(N[C@@H]2C[C@H]3CNC[C@H]3C2)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ CHRNB2 P17787 4/20 0.38
▸ CHRNA4 P43681 4/20 0.38
▸ CHRNB4 P30926 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ IL1B P01584 2/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL29919345 1.00 ALDH1A1 (0.42) ALDH1A1MAPTGAACHRNB2CHRNA4
SCHEMBL20936982 1.00 ALDH1A1 (0.42) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29259686 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23523614 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31119102 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23523613 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23523611 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29259683 0.98 ALDH1A1 (0.41) ALDH1A1MAPTGAACHRNB2CHRNA4
SCHEMBL17961755 0.86 ALDH1A1 (0.47) ALDH1A1MAPTGAACHRNB2CHRNA4
SCHEMBL20936943 0.81 HRH3 (0.33) JAK2JAK1IL1BHRH3

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-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 — — 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
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 ALDH1A1 1973/4885MAPT 2255/4885GAA 2596/4885
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ALDH1A1 1810/4885MAPT 2289/4885GAA 3683/4885
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 ALDH1A1 1973/4885MAPT 2255/4885GAA 2596/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 ALDH1A1 1973/4885MAPT 2255/4885GAA 2596/4885
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 ALDH1A1 1973/4885MAPT 2255/4885GAA 2596/4885
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ALDH1A1 2208/4885MAPT 2040/4885GAA 2818/4885

“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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