SCHEMBL4198063

SCHEMBL4198063

COc1nc2ccccc2nc1OC1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM3 P20309 1/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH4 Q9H3N8 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
Iodide SCHEMBL4204680 0.86 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4205210 0.83 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
Iodide SCHEMBL4210154 0.79 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4199213 0.75 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14507228 0.74 CHRM1 (0.45) CHRM1
Hydrochloric Acid SCHEMBL9469130 0.74 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4206274 0.73 CHRM2 (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4198068 0.73 CHRM2 (0.70) CHRM1CHRM2CHRM4CHRM5CHRM3
Methane SCHEMBL4192825 0.73 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4209242 0.72 CHRM2 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3

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 CHRM1 28/4885CHRM2 20/4885CHRM4 19/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 CHRM1 28/4885CHRM2 20/4885CHRM4 19/4885

“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.