SCHEMBL2485598

SCHEMBL2485598

CC(C)(C)OC(=O)N[C@](Cc1ccccc1)(C(=O)O)[C@H]1CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
ACE P12821 1/20 0.41
CHRNA7 P36544 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KLK5 Q9Y337 1/20 0.40
NTMT1 Q9BV86 1/20 0.40
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2987327 0.80 MAPT (0.54) MAPTKMT2AMEN1L3MBTL1CHRNA7
SCHEMBL15855966 0.79 LMNA (0.47) MAPTL3MBTL1CHRNA7BCHEACHE
SCHEMBL15855965 0.79 LMNA (0.47) MAPTL3MBTL1CHRNA7BCHEACHE
SCHEMBL15855967 0.79 LMNA (0.47) MAPTL3MBTL1CHRNA7BCHEACHE
SCHEMBL5320288 0.78 KMT2A (0.46) KMT2AL3MBTL1ACEKLK5
SCHEMBL18204371 0.74 LMNA (0.44) MAPTL3MBTL1CHRNA7BCHEACHE
SCHEMBL2996529 0.71 CHRM3 (0.52) KMT2AACECHRNA7BCHEACHE
SCHEMBL2485594 0.71 CHRM3 (0.52) KMT2AACECHRNA7BCHEACHE
SCHEMBL2485597 0.71 CHRM3 (0.52) KMT2AACECHRNA7BCHEACHE
SCHEMBL1350802 0.70 CA12 (0.50) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (2 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 MAPT 1455/4885KMT2A 1874/4885MEN1 4121/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MAPT 1455/4885KMT2A 1874/4885MEN1 4121/4885

“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.