SCHEMBL5403372

SCHEMBL5403372

c1ccc(Oc2ccc(O[C@H]3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.55
CHRNA7 P36544 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL5396813 1.00 LSS (0.55) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5390767 1.00 LSS (0.55) LSSCHRNA7CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5653510 0.98 LSS (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5652765 0.98 LSS (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5653334 0.98 LSS (0.53) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5390772 0.93 LSS (0.60) LSSCHRNA7
SCHEMBL3218495 0.93 LSS (0.56) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL3218661 0.93 LSS (0.56) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL3218491 0.93 LSS (0.56) LSSCHRNA7CHRM2CHRM1CHRM3
SCHEMBL5710394 0.92 LSS (0.51) LSSCHRNA7CHRM2CHRM1CHRM3

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-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US claimed
JP-2007515486-A 2007-06-14 JP claimed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP claimed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO claimed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO 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 2314/4885CHRNA7 8/4885CHRM2 3/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 LSS 1730/4885CHRNA7 11/4885CHRM2 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.