SCHEMBL22609334

SCHEMBL22609334

Cc1cnn(C)c1-c1ccc(NC(=O)C2CC3(C2)CN(C(=O)O)C3)nn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.39
DYRK1A Q13627 12/20 0.39
WNT1 P04628 11/20 0.39
ABL1 P00519 4/20 0.32
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL22797252 0.88 WNT1 (0.48) GSK3BDYRK1AWNT1ABL1
SCHEMBL22609238 0.83 ACHE (0.33)
SCHEMBL20919947 0.83 CTSC (0.32) ABL1MAP4K1
SCHEMBL20641848 0.81 MAP4K1 (0.37) MAP4K1
SCHEMBL20937485 0.77 CHRNB2 (0.36) GSK3BDYRK1AWNT1ABL1MAP4K1
SCHEMBL22797251 0.77 PTPN2 (0.52) ABL1
Hydrochloric Acid SCHEMBL23523227 0.76 CHRNB2 (0.36) GSK3BDYRK1AWNT1ABL1MAP4K1
SCHEMBL22609246 0.75 WNT1 (0.37) GSK3BDYRK1AWNT1
SCHEMBL20936735 0.74 PTPN2 (0.39) GSK3BDYRK1AWNT1ABL1
SCHEMBL23523709 0.73 CHRM4 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-05-10 US disclosed
US-20200392117-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-12-17 US disclosed
EP-3732163-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-11-04 EP 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 (2 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-20200392117-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 GSK3B 4245/4885DYRK1A 2753/4885WNT1 4356/4885
US-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM5 GSK3B 4258/4885DYRK1A 3068/4885WNT1 4327/4885

“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.