SCHEMBL6420829

SCHEMBL6420829

Cc1csc(-c2ccc(F)cc2NC(=O)OCC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48

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
SCHEMBL6229134 0.89 CHRM3 (0.45) CHRM3HDAC3HDAC1HDAC2
SCHEMBL6204531 0.86 CHRM3 (0.60) CHRM3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6456065 0.85 CHRM3 (0.59) CHRM3HDAC1HDAC2
SCHEMBL6414660 0.84 CHRM3 (0.54) CHRM3
SCHEMBL6417726 0.78 CHRM3 (0.52) CHRM3
SCHEMBL6414820 0.78 CHRM3 (0.50) CHRM3
SCHEMBL6421278 0.78 CHRM3 (0.50) CHRM3
SCHEMBL6416055 0.77 CHRM3 (0.52) CHRM3
SCHEMBL6204917 0.77 CHRM3 (0.49) CHRM3
SCHEMBL6432879 0.77 CHRM3 (0.52) CHRM3

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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 CHRM3 1/4885HDAC3 567/4885HDAC1 2654/4885

“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.