SCHEMBL1696173

SCHEMBL1696173

O=C(O[C@H]1CN2CCC1CC2)[C@@H](Nc1ccccc1)c1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CHRM3 P20309 6/20 0.47
CHRM2 P08172 5/20 0.47
CHRM1 P11229 5/20 0.47
CYP2D6 P10635 1/20 0.46
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL1696097 1.00 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL12071893 1.00 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696093 1.00 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696141 1.00 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696095 1.00 CHRNA7 (0.51) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL16460944 0.92 CYP2D6 (0.45) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL16460946 0.92 CYP2D6 (0.45) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696312 0.91 NTMT1 (0.45) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL16476711 0.91 NTMT1 (0.45) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696309 0.91 NTMT1 (0.45) CHRNA7BCHEACHECHRM3CHRM2

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 10 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
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US 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
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
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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 CHRNA7 16/4885BCHE 32/4885ACHE 9/4885

“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.