SCHEMBL2819402

SCHEMBL2819402

O=C(N[C@@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 1.00
CHRM2 P08172 15/20 1.00
CHRM1 P11229 15/20 1.00
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CHRNA7 P36544 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54

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
SCHEMBL2819389 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL6201475 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2820608 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2820120 0.92 CHRM3 (0.85) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2823076 0.87 CHRM3 (0.77) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL4542752 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2820947 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2819392 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL2819039 0.82 CHRM3 (0.76) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL4922233 0.82 CHRM3 (0.76) CHRM3CHRM2CHRM1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718670-B2 Quinuclidine amide derivatives LABORATORIOS ALMIRALL S.A (ES) 2010-05-18 US claimed
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP claimed
US-20080234316-A1 Quinuclidine Amide Derivatives ALMIRALL AG 2008-09-25 US claimed
US-20060167042-A1 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2006-07-27 US claimed
JP-2005533826-A 2005-11-10 JP claimed
EP-1519933-A1 QUINUCLIDINE AMIDE DERIVATIVES Almirall Prodesfarma AG (CH) 2005-04-06 EP claimed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 WO claimed
US-7718670-B2 Quinuclidine amide derivatives LABORATORIOS ALMIRALL S.A (ES) 2010-05-18 US disclosed
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP disclosed
US-7488735-B2 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2009-02-10 US disclosed
US-20080234316-A1 Quinuclidine Amide Derivatives ALMIRALL AG 2008-09-25 US disclosed
US-20060167042-A1 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2006-07-27 US disclosed
EP-1519933-A1 QUINUCLIDINE AMIDE DERIVATIVES Almirall Prodesfarma AG (CH) 2005-04-06 EP disclosed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 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 (2 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-20080234316-A1 Quinuclidine Amide Derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20060167042-A1 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.