SCHEMBL5100423

SCHEMBL5100423

O=C(Nc1cc(Cl)ccc1-c1ccc(F)c(Cl)c1)OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
FABP4 P15090 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
IDH2 P48735 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL3912448 0.92 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL5103689 0.91 CHRM3 (0.43) CHRM3CHRM2CHRM1SLC1A3SLC1A2
SCHEMBL5103918 0.88 FABP4 (0.39) CHRM3FABP4IDH2FABP5
SCHEMBL5113550 0.88 FABP4 (0.52) CHRM3CHRM2CHRM1FABP4IDH2
SCHEMBL5103316 0.85 CHRM3 (0.43) CHRM3CHRM2CHRM1FABP4IDH2
SCHEMBL5113237 0.84 FABP4 (0.41) FABP4IDH2FABP5
SCHEMBL5099118 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL5099368 0.82 CNR1 (0.43) CHRM3FABP4IDH2FABP5
SCHEMBL5112016 0.82 KCNMA1 (0.44) CHRM3IDH2
Trifluoroacetic Acid SCHEMBL5100417 0.81 FABP4 (0.45) CHRM3CHRM2CHRM1FABP4SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 US claimed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 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-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 19/4885

“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.