SCHEMBL9284656

SCHEMBL9284656

O=C(NC(C(=O)O[C@H]1C[N+]2(CC(=O)c3nccs3)CCC1CC2)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.43
CHRM2 P08172 16/20 0.43
CHRM1 P11229 16/20 0.43
GPR132 Q9UNW8 1/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
TACR1 P25103 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 2/20 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
Trifluoroacetic Acid SCHEMBL8512097 0.94 CHRM3 (0.39) CHRM3CHRM2CHRM1GPR132CHRM4
SCHEMBL9289992 0.93 CHRM3 (0.43) CHRM3CHRM2CHRM1GPR132CHRM4
SCHEMBL13282534 0.89 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13240930 0.89 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL8509770 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1GPR132
Bromide SCHEMBL2992962 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL2524921 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL17667714 0.88 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL9288972 0.87 CHRM3 (0.43) CHRM3CHRM2CHRM1GPR132
SCHEMBL13240998 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5

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-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 US disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 US disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 WO 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CHRM3 1/4885CHRM2 4/4885CHRM1 10/4885

“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.