SCHEMBL2819892

SCHEMBL2819892

CCN(C(=O)C1c2ccccc2Oc2ccccc21)C1CN2CCC1CC2

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.73
CHRM1 P11229 5/20 0.73
CHRM3 P20309 5/20 0.73
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
CCR1 P32246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL2821824 0.85 CHRM2 (1.00) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL2820016 0.85 CHRM2 (1.00) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL10648097 0.70 CHRM1 (0.42) CHRM2CHRM1CHRM3
SCHEMBL6201270 0.70 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL6203759 0.70 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL7200244 0.70 CHRM3 (1.00) CHRM2CHRM1CHRM3KDM4EALDH1A1
SCHEMBL2819759 0.70 CHRM2 (1.00) CHRM2CHRM1CHRM3CCR1
SCHEMBL2821129 0.70 CHRM2 (1.00) CHRM2CHRM1CHRM3CCR1
SCHEMBL2819221 0.70 CHRM2 (1.00) CHRM2CHRM1CHRM3CCR1
SCHEMBL3574604 0.70 CHRM3 (1.00) CHRM2CHRM1CHRM3KDM4EALDH1A1

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 5 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 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

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.