SCHEMBL2819221

SCHEMBL2819221

O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 1.00
CHRM1 P11229 5/20 1.00
CHRM3 P20309 5/20 1.00
CHRNA7 P36544 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CCR1 P32246 4/20 0.51

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
SCHEMBL2819759 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRNA7HDAC3
SCHEMBL2821129 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRNA7HDAC3
SCHEMBL9912181 0.76 CCR1 (0.65) CHRM2CHRM1CHRM3HDAC3HDAC4
SCHEMBL30829055 0.76 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL2822093 0.75 CHRM2 (0.60) CHRM2CHRM1CHRM3HDAC3HDAC4
SCHEMBL7200244 0.74 CHRM3 (1.00) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL3574604 0.74 CHRM3 (1.00) CHRM2CHRM1CHRM3CHRNA7
Bromide SCHEMBL2822053 0.74 CHRM2 (0.61) CHRM2CHRM1CHRM3HDAC3HDAC4
SCHEMBL6846711 0.72 CHRM3 (0.57) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL8944242 0.72 CHRM3 (0.57) CHRM2CHRM1CHRM3CHRNA7

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 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
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 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885

“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.