SCHEMBL2485597

SCHEMBL2485597

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OC1CN2CCC1CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.52
ACE P12821 2/20 0.52
KMT2A Q03164 2/20 0.51
KLK7 P49862 3/20 0.50
CTSS P25774 2/20 0.50
CHRNA7 P36544 2/20 0.50
KLK5 Q9Y337 2/20 0.50
MAPK1 P28482 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL2996529 1.00 CHRM3 (0.52) CHRM3ACEKMT2AKLK7CTSS
SCHEMBL2485594 1.00 CHRM3 (0.52) CHRM3ACEKMT2AKLK7CTSS
SCHEMBL8511309 0.92 YAP1 (0.55) CHRM3ACEKLK7KLK5
SCHEMBL8511306 0.92 YAP1 (0.55) CHRM3ACEKLK7KLK5
SCHEMBL8511307 0.92 YAP1 (0.55) CHRM3ACEKLK7KLK5
SCHEMBL8512129 0.91 CTSS (0.50) CHRM3ACEKMT2AKLK7CTSS
SCHEMBL8512132 0.91 CTSS (0.50) CHRM3ACEKMT2AKLK7CTSS
SCHEMBL8512124 0.91 CTSS (0.50) CHRM3ACEKMT2AKLK7CTSS
SCHEMBL9290003 0.90 CACNA1B (0.57) CHRM3
SCHEMBL8509367 0.84 KLK7 (0.63) KMT2AKLK7CTSSCTSLCTSK

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 13 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
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US 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
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 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
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 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 (3 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885ACE 1122/4885KMT2A 1874/4885
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CHRM3 1/4885ACE 634/4885KMT2A 2323/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885ACE 1122/4885KMT2A 1874/4885

“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.