SCHEMBL8511307

SCHEMBL8511307

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O[C@H]1CN2CCC1CC2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 5/20 0.55
BCL2 P10415 1/20 0.51
CHRM3 P20309 5/20 0.50
KLK7 P49862 4/20 0.50
KLK5 Q9Y337 2/20 0.50
PTPN1 P18031 1/20 0.50
ACE P12821 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL8511306 1.00 YAP1 (0.55) YAP1BCL2CHRM3KLK7KLK5
SCHEMBL8511309 1.00 YAP1 (0.55) YAP1BCL2CHRM3KLK7KLK5
SCHEMBL2485597 0.92 CHRM3 (0.52) CHRM3KLK7KLK5ACE
SCHEMBL2996529 0.92 CHRM3 (0.52) CHRM3KLK7KLK5ACE
SCHEMBL2485594 0.92 CHRM3 (0.52) CHRM3KLK7KLK5ACE
SCHEMBL8512124 0.88 CTSS (0.50) CHRM3KLK7KLK5ACE
SCHEMBL8512132 0.88 CTSS (0.50) CHRM3KLK7KLK5ACE
SCHEMBL8512129 0.88 CTSS (0.50) CHRM3KLK7KLK5ACE
SCHEMBL9290003 0.87 CACNA1B (0.57) CHRM3HRH2HRH1
SCHEMBL192656 0.83 YAP1 (0.59) YAP1BCL2KLK7KLK5PTPN1

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 5 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
EP-2643295-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2013-10-02 EP disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 WO disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG YAP1 4230/4885BCL2 4370/4885CHRM3 1/4885

“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.