SCHEMBL4207455

SCHEMBL4207455

c1cnc2ccc(OC3CN4CCC3CC4)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.52
HTR3A P46098 1/20 0.51
CHRNA7 P36544 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
LSS P48449 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
SCHEMBL4198059 0.82 LSS (0.50) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL5020201 0.76 ALDH1A1 (0.51) CHRNA7PDE3BPDE3APDE10A
SCHEMBL4649974 0.76 CHRM2 (0.43) TLR7CHRNA7CHRM2CHRM4CHRM5
SCHEMBL4649235 0.76 CHRM2 (0.43) TLR7CHRNA7CHRM2CHRM4CHRM5
SCHEMBL4674252 0.71 PDE3B (0.47) CHRNA7PDE3BPDE3APDE10A
SCHEMBL5390772 0.71 LSS (0.60) CHRNA7LSS
SCHEMBL3218495 0.71 LSS (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3218661 0.71 LSS (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3218491 0.71 LSS (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9469306 0.71 LSS (0.57) CHRNA7CHRM2CHRM1CHRM3LSS

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 TLR7 830/4885HTR3A 120/4885CHRNA7 9/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 TLR7 830/4885HTR3A 120/4885CHRNA7 9/4885

“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.