SCHEMBL2820016

SCHEMBL2820016

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 1.00
CHRM1 P11229 7/20 1.00
CHRM3 P20309 7/20 1.00
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 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
SCHEMBL2821824 1.00 CHRM2 (1.00) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL2819892 0.85 CHRM2 (0.73) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL6203759 0.83 CHRM2 (0.68) CHRM2CHRM1CHRM3OPRK1
SCHEMBL6201270 0.83 CHRM2 (0.68) CHRM2CHRM1CHRM3OPRK1
SCHEMBL2819759 0.72 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2819221 0.72 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL7200244 0.72 CHRM3 (1.00) CHRM2CHRM1CHRM3KDM4E
SCHEMBL3574604 0.72 CHRM3 (1.00) CHRM2CHRM1CHRM3KDM4E
SCHEMBL2821129 0.72 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL2824678 0.70 CHRM3 (1.00) CHRM2CHRM1CHRM3KMT2AMEN1

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 11 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
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.