SCHEMBL5650196

SCHEMBL5650196

O=C(/C=C/C(=O)ON(c1ccc(OC2CN3CCC2CC3)cc1)C1CCCCC1)ON(c1ccc(OC2CN3CCC2CC3)cc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.49
CHRM3 P20309 6/20 0.40
CHRM2 P08172 5/20 0.40
CHRM1 P11229 5/20 0.40
CHRNA7 P36544 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL5420568 0.77 CHRM2 (0.50) LSSCHRM3CHRM2CHRM1CHRNA7
SCHEMBL5650254 0.76 LSS (0.57) LSSCHRM3CHRM2CHRM1CHRNA7
SCHEMBL5648831 0.73 LSS (0.54) LSSCHRM3CHRM2CHRM1CHRNA7
Fumaric Acid SCHEMBL5417065 0.72 LSS (0.50) LSSCHRM3CHRM2CHRM1CHRNA7
Fumaric Acid SCHEMBL5417070 0.72 LSS (0.50) LSSCHRM3CHRM2CHRM1CHRNA7
Fumaric Acid SCHEMBL5650192 0.72 LSS (0.50) LSSCHRM3CHRNA7BCHEACHE
Fumaric Acid SCHEMBL5650201 0.72 LSS (0.50) LSSCHRM3CHRNA7BCHEACHE
SCHEMBL4136890 0.71 LSS (0.57) LSSCHRNA7BCHEACHE
SCHEMBL5429441 0.71 LSS (0.42) LSSCHRM3CHRM2CHRM1CHRNA7
Hydrochloric Acid SCHEMBL5710706 0.70 LSS (0.52) LSSCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged 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 (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-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA1, CHRNA2, CHRM2 LSS 2314/4885CHRM3 6/4885CHRM2 3/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 LSS 1730/4885CHRM3 3/4885CHRM2 6/4885

“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.