SCHEMBL23523331

SCHEMBL23523331

CC(C)(C)OC(=O)N1C[C@H]2C[C@H](Nc3ccc(Cl)nn3)C[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
JAK1 P23458 2/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
USP30 Q70CQ3 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
STS P08842 1/20 0.38
SSTR4 P31391 1/20 0.38
PDE4B Q07343 1/20 0.38
NAMPT P43490 1/20 0.37
KCNK3 O14649 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
SCHEMBL23523406 1.00 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL20936797 1.00 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL20936933 1.00 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL23545108 1.00 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL29501522 1.00 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL22672008 0.87 ALDH1A1 (0.39) NR1H2ALDH1A1NPC1MAPTMAPK1
SCHEMBL29565945 0.87 ALDH1A1 (0.39) NR1H2ALDH1A1NPC1MAPTMAPK1
SCHEMBL23545107 0.86 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL20936803 0.86 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT
SCHEMBL20936942 0.86 NR1H2 (0.45) NR1H2JAK1ALDH1A1NPC1MAPT

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 9 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-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-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
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 NR1H2 455/4885JAK1 3975/4885ALDH1A1 1973/4885
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 518/4885JAK1 3243/4885ALDH1A1 1810/4885
US-11299481-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885JAK1 3975/4885ALDH1A1 1973/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885JAK1 3975/4885ALDH1A1 1973/4885
US-20210188820-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NR1H2 455/4885JAK1 3975/4885ALDH1A1 1973/4885
US-20230150986-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 399/4885JAK1 3792/4885ALDH1A1 2208/4885

“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.