SCHEMBL16476736

SCHEMBL16476736

CCOC(=O)c1cccc(NC(C(=O)O[C@H]2C[N+]3(C)CCC2CC3)c2ccc(OC)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
PDE8A O60658 1/20 0.38
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
PDE8B O95263 1/20 0.38
PDE6A P16499 1/20 0.38
PDE6G P18545 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE6B P35913 1/20 0.38
PDE6C P51160 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE6H Q13956 1/20 0.38

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
Iodide SCHEMBL1696147 0.99 PDE2A (0.38) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL16908810 0.89 CHRM3 (0.40) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL16476728 0.89 CHRM3 (0.40) PDE2APDE6DPDE8APDE5APDE9A
Hydrochloric Acid SCHEMBL1696191 0.88 CHRM3 (0.40) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL16476738 0.87 PDE2A (0.37) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL16476732 0.87 PDE2A (0.37) PDE2APDE6DPDE8APDE5APDE9A
Bromide SCHEMBL1696226 0.87 PDE2A (0.37) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL16463343 0.86 CHRM3 (0.51) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL1696249 0.86 CHRM3 (0.51) PDE2APDE6DPDE8APDE5APDE9A
Bromide SCHEMBL1696157 0.86 PDE2A (0.36) PDE2APDE6DPDE8APDE5APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US 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 PDE2A 283/4885PDE6D 1217/4885PDE8A 832/4885

“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.