SCHEMBL1696222

SCHEMBL1696222

COC(=O)c1ccccc1NC(C(=O)O[C@H]1CN2CCC1CC2)c1ccc(OC)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 6/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRNA7 P36544 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ PDE6D O43924 1/20 0.40
▸ PDE8A O60658 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ PDE8B O95263 1/20 0.40
▸ PDE6A P16499 1/20 0.40
▸ PDE6G P18545 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE6B P35913 1/20 0.40
▸ PDE6C P51160 1/20 0.40
▸ PDE1A P54750 1/20 0.40

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
SCHEMBL16462367 1.00 CHRM3 (0.43) CHRM3GAAATMCHRM2CHRM1
SCHEMBL16476746 1.00 CHRM3 (0.43) CHRM3GAAATMCHRM2CHRM1
SCHEMBL16462210 0.93 CHRM3 (0.46) CHRM3GAAATMCHRM2CHRM1
SCHEMBL16462212 0.93 CHRM3 (0.46) CHRM3GAAATMCHRM2CHRM1
SCHEMBL1696197 0.87 CHRNA7 (0.48) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL1696195 0.87 CHRNA7 (0.48) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL16476688 0.87 CHRNA7 (0.48) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL2482967 0.86 CHRM3 (0.55) CHRM3GAAATMCHRM2CHRM1
SCHEMBL2511178 0.86 CHRM3 (0.55) CHRM3GAAATMCHRM2CHRM1
SCHEMBL13240793 0.86 CHRM3 (0.55) CHRM3GAAATMCHRM2CHRM1

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 CHRM3 1/4885GAA 3384/4885ATM 715/4885

“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.

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