SCHEMBL4198526

SCHEMBL4198526

c1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.64
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
BCHE P06276 2/20 0.43
ACHE P22303 2/20 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
SCHEMBL3839980 0.93 CHRNA7 (0.57) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840231 0.93 CHRNA7 (0.57) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3181800 0.89 CHRNA7 (0.65) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL1459274 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840208 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1459276 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1542514 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840206 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5421431 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1542809 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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-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
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-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 CHRNA7 9/4885CHRNB2 14/4885CHRNB4 12/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 CHRNA7 9/4885CHRNB2 14/4885CHRNB4 12/4885

“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.