SCHEMBL1017447

SCHEMBL1017447

Brc1ccc(OC2CN3CCC2CC3)nn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.53
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
LSS P48449 1/20 0.40

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
Fumaric Acid SCHEMBL1019559 0.89 CHRNA7 (0.45) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL3181800 0.84 CHRNA7 (0.65) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1542450 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1542454 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1017575 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL3072200 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1542433 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL3085254 0.82 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1542514 0.81 CHRNA7 (0.65) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL5396534 0.78 CHRNA7 (0.50) CHRNA7CHRM2CHRM1CHRM4CHRM5

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 16 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
EP-1532144-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2008-01-23 EP 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
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP disclosed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US disclosed
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
EP-1532144-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2008-01-23 EP disclosed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US disclosed
EP-1802616-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-07-04 EP disclosed
WO-2006040352-A1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-04-20 WO 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 (3 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 CHRNA7 9/4885CHRM2 20/4885CHRM1 28/4885
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA5 CHRNA7 6/4885CHRM2 19/4885CHRM1 39/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 CHRNA7 9/4885CHRM2 20/4885CHRM1 28/4885

“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.