SCHEMBL1696003

SCHEMBL1696003

O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CHRM3 P20309 11/20 0.52
CHRM2 P08172 9/20 0.52
CHRM1 P11229 9/20 0.52
CYP2D6 P10635 1/20 0.48

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
SCHEMBL16377672 1.00 CHRNA7 (0.54) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1696001 1.00 CHRNA7 (0.54) CHRNA7BCHEACHECHRM3CHRM2
Hydrochloric Acid SCHEMBL2485785 0.99 CHRNA7 (0.53) CHRNA7BCHEACHECHRM3CHRM2
Hydrochloric Acid SCHEMBL2485787 0.99 CHRNA7 (0.53) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL19894805 0.90 CHRM3 (0.47) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL12071819 0.84 CHRM3 (0.62) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1695935 0.84 CHRM3 (0.62) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1695933 0.84 CHRM3 (0.62) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1695975 0.84 CHRM3 (0.62) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL2486482 0.84 CHRM3 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585458-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
US-8563577-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-10-22 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-2585458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160919-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 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 (3 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 CHRNA7 43/4885BCHE 29/4885ACHE 124/4885
US-20110311459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM5, CHRM2 CHRNA7 15/4885BCHE 22/4885ACHE 9/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRNA7 43/4885BCHE 29/4885ACHE 124/4885

“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.