SCHEMBL9289986

SCHEMBL9289986

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1C[N+]2(CC(=O)c3ccccc3)CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
CTSL P07711 1/20 0.45
KLK7 P49862 4/20 0.44
KLK5 Q9Y337 3/20 0.44
ACE P12821 2/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
SCN9A Q15858 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41

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
Bromide SCHEMBL8509179 0.99 CTSS (0.44) CTSSCTSKCTSBCTSLKLK7
Bromide SCHEMBL8509184 0.99 CTSS (0.44) CTSSCTSKCTSBCTSLKLK7
SCHEMBL8509388 0.95 CTSS (0.45) CTSSCTSKCTSBCTSLKLK7
SCHEMBL8509384 0.95 CTSS (0.45) CTSSCTSKCTSBCTSLKLK7
Bromide SCHEMBL8509794 0.94 CTSS (0.44) CTSSCTSKCTSBCTSLKLK7
Bromide SCHEMBL8509792 0.94 CTSS (0.44) CTSSCTSKCTSBCTSLKLK7
Bromide SCHEMBL8511984 0.92 YAP1 (0.47) KLK7KLK5ACEHRH2HRH1
Bromide SCHEMBL8512342 0.92 YAP1 (0.47) KLK7KLK5ACEHRH2HRH1
SCHEMBL9289904 0.92 CACNA1B (0.48) CTSSCTSKCTSBCTSLKLK7
SCHEMBL8509946 0.86 KLK7 (0.58) CTSSCTSKCTSLKLK7KLK5

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
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 CTSS 4443/4885CTSK 3906/4885CTSB 4141/4885

“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.