SCHEMBL4198059

SCHEMBL4198059

c1ccc2cc(OC3CN4CCC3CC4)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.50
CHRNA7 P36544 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL4207455 0.82 TLR7 (0.52) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL3218661 0.82 LSS (0.56) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL3218491 0.82 LSS (0.56) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL3218495 0.82 LSS (0.56) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL3839364 0.81 CHRNA7 (0.69) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL3839359 0.81 CHRNA7 (0.69) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL4204692 0.79 LSS (0.55) LSSCHRNA7
SCHEMBL5403372 0.79 LSS (0.55) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL5396813 0.79 LSS (0.55) LSSCHRNA7CHRM2CHRM4CHRM5
SCHEMBL5390767 0.79 LSS (0.55) LSSCHRNA7CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US claimed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US claimed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP claimed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 WO claimed
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US disclosed
EP-1905771-A2 Quinuclidine derivatives and their use NeuroSearch A/S (DK) 2008-04-02 EP disclosed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US disclosed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP disclosed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 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-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE ACHE, CHRNA5, CHRNA3 LSS 3273/4885CHRNA7 9/4885CHRM2 20/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 LSS 3273/4885CHRNA7 9/4885CHRM2 20/4885

“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.