SCHEMBL9289886

SCHEMBL9289886

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(NC(=O)c1ccccc1)c1ccccc1)C2)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.43
CHRM2 P08172 17/20 0.43
CHRM1 P11229 16/20 0.43
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
TACR1 P25103 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36

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 SCHEMBL8512398 0.94 CHRM3 (0.41) CHRM3CHRM2CHRM1F2F10
SCHEMBL9288972 0.91 CHRM3 (0.43) CHRM3CHRM2CHRM1F2F10
Hydrochloric Acid SCHEMBL8509770 0.90 CHRM3 (0.42) CHRM3CHRM2CHRM1F2F10
SCHEMBL13240868 0.89 CHRM3 (0.42) CHRM3CHRM2CHRM1
SCHEMBL3787139 0.89 CHRM3 (0.42) CHRM3CHRM2CHRM1
SCHEMBL9289968 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13240999 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1
Bromide SCHEMBL8509278 0.87 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL9287567 0.86 CHRM3 (0.40) CHRM3CHRM2CHRM1F2F10
Bromide SCHEMBL2484665 0.86 CHRM2 (0.43) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP disclosed
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.