SCHEMBL2512969

SCHEMBL2512969

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.42
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 8/20 0.41
CHRM1 P11229 4/20 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
PDE1B Q01064 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 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
SCHEMBL16649399 1.00 CHRM3 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
SCHEMBL2483001 1.00 CHRM3 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
SCHEMBL13240982 1.00 CHRM3 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
SCHEMBL13240903 1.00 CHRM3 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
Bromide SCHEMBL2991051 0.99 NPSR1 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL2484591 0.99 CHRM3 (0.41) CHRM3CYP2D6NPSR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL2484729 0.99 CHRM3 (0.41) CHRM3CYP2D6NPSR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL2487889 0.99 CHRM3 (0.41) CHRM3CYP2D6NPSR1CHRM2CHRM1
Bromide SCHEMBL2995432 0.99 NPSR1 (0.42) CHRM3CYP2D6NPSR1CHRM2CHRM1
SCHEMBL12072360 0.95 NPSR1 (0.41) CHRM3CYP2D6NPSR1CHRM2CHRM1

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 disclosed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP 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
US-20110308519-A1 DRY POWDER FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 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
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 (4 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-20110308519-A1 DRY POWDER FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHRM3, CHRM2, CHRM5 CHRM3 1/4885CYP2D6 41/4885NPSR1 122/4885
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CYP2D6 2637/4885NPSR1 632/4885
US-20120220557-A1 LIQUID PROPELLANT-FREE FORMULATION COMPRISING AN ANTIMUSCARINIC DRUG CHRM3, CHRM2, ADRB2 CHRM3 1/4885CYP2D6 690/4885NPSR1 223/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG CHRM3 1/4885CYP2D6 2637/4885NPSR1 632/4885

“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.