SCHEMBL5420568

SCHEMBL5420568

O=C(/C=C/C(=O)ON(c1ccccc1)c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1)ON(c1ccccc1)c1ccc(-c2ccc(OC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.50
CHRM1 P11229 7/20 0.50
CHRM3 P20309 7/20 0.50
LSS P48449 1/20 0.48
CHRNA7 P36544 3/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
Fumaric Acid SCHEMBL5417065 0.80 LSS (0.50) CHRM2CHRM1CHRM3LSSCHRNA7
Fumaric Acid SCHEMBL5417070 0.80 LSS (0.50) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL4204692 0.79 LSS (0.55) LSSCHRNA7
Fumaric Acid SCHEMBL5420571 0.78 CHRNA7 (0.50) CHRM2CHRM1CHRM3LSSCHRNA7
Fumaric Acid SCHEMBL5420562 0.78 CHRNA7 (0.50) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL5431557 0.77 CHRNA7 (0.53) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL5650196 0.77 LSS (0.49) CHRM2CHRM1CHRM3LSSCHRNA7
Fumaric Acid SCHEMBL1020193 0.76 LSS (0.53) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL5650254 0.75 LSS (0.57) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL5408455 0.75 CHRNA7 (0.53) CHRM2CHRM1CHRM3LSSCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US disclosed
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-06-23 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 (3 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 CHRM2 35/4885CHRM1 36/4885CHRM3 16/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 CHRM2 35/4885CHRM1 36/4885CHRM3 16/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 CHRM2 34/4885CHRM1 37/4885CHRM3 14/4885

“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.