SCHEMBL1696296

SCHEMBL1696296

COc1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2csc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CHRNA7 P36544 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CHRM3 P20309 5/20 0.41
PDE2A O00408 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
PDE5A O76074 1/20 0.41
PDE9A O76083 1/20 0.41
PDE8B O95263 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE4A P27815 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 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
SCHEMBL12073586 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7BCHEACHECHRM3
SCHEMBL1696297 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7BCHEACHECHRM3
SCHEMBL1696093 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696173 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696097 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL12071893 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696095 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696141 0.89 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL16476717 0.88 ALDH1A1 (0.45) ALDH1A1CHRNA7BCHEACHECHRM3
SCHEMBL16476711 0.88 NTMT1 (0.45) ALDH1A1CHRNA7BCHEACHECHRM3

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-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 ALDH1A1 1852/4885CHRNA7 16/4885BCHE 32/4885

“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.