SCHEMBL4093946

SCHEMBL4093946

N#Cc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
VNN1 O95497 3/20 0.48
ROCK2 O75116 3/20 0.48
PPARG P37231 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SNCA P37840 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
WDR5 P61964 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45

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
SCHEMBL17142140 0.79 HDAC2 (0.64) CHRM3VNN1PPARGGAAKMT2A
SCHEMBL5091359 0.79 CHRM3 (0.54) CHRM3VNN1ROCK2GAAEPHX2
SCHEMBL7233161 0.79 CHRM3 (0.54) CHRM3VNN1ROCK2GAAHPGD
SCHEMBL7989764 0.78 GAA (0.53) CHRM3VNN1ROCK2GAAEPHX2
SCHEMBL7985996 0.78 GAA (0.56) CHRM3VNN1GAAKMT2A
SCHEMBL28146231 0.77 CHRM3 (0.55) CHRM3VNN1ROCK2GAAEPHX2
SCHEMBL15847451 0.77 MLYCD (0.64) CHRM3VNN1GAAMEN1HPGD
SCHEMBL9365904 0.77 MAOA (0.66) CHRM3VNN1ROCK2PPARGERCC1
SCHEMBL7986109 0.77 MAOB (0.55) CHRM3VNN1GAAKMT2A
SCHEMBL29617710 0.77 TRPV1 (0.55) CHRM3VNN1ROCK2GAAEPHX2

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-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 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-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM2 2/4885CHRM1 7/4885

“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.