SCHEMBL3781073

SCHEMBL3781073

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.47
CHRM2 P08172 18/20 0.47
CHRM1 P11229 18/20 0.47
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2C P18825 2/20 0.41
TACR1 P25103 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL12014465 1.00 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13240904 1.00 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13241020 0.94 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13240948 0.94 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2513935 0.93 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2991213 0.93 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL2978743 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL2482975 0.93 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13241019 0.93 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16020668 0.93 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 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
US-20120220557-A1 LIQUID PROPELLANT-FREE FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-30 US disclosed
WO-2012110462-A1 LIQUID PROPELLANT-FREE FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-23 WO disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed
EP-2206712-A1 \"Alkaloid aminoester derivatives and medicinal composition thereof\ CHIESI FARMACEUTICI S.p.A. (IT) 2010-07-14 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO 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 CHRM3 1/4885CHRM2 4/4885CHRM1 2/4885
US-20120220557-A1 LIQUID PROPELLANT-FREE FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHRM3, CHRM2, ADRB2 CHRM3 1/4885CHRM2 2/4885CHRM1 4/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CHRM2 4/4885CHRM1 2/4885

“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.