SCHEMBL4206274

SCHEMBL4206274

c1ccc2nc(OC3CN4CCC3CC4)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
CHRNA7 P36544 4/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
Methane SCHEMBL4199208 0.97 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4199213 0.82 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Methane SCHEMBL4192825 0.80 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5343134 0.75 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL4210154 0.75 CHRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3841996 0.75 CHRNA7 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3840566 0.75 CHRNA7 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7325360 0.75 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4198063 0.73 CHRM1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4205210 0.73 CHRM1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3

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 18 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
EP-0306148-B1 Azabicyclic ethers WYETH JOHN & BROTHER LTD (GB) 1994-01-12 EP claimed
US-4997839-A 2-quinolyl ethers JOHN WYETH & BROTHER LIMITED (GB) 1991-03-05 US claimed
EP-0306148-A2 Azabicyclic ethers JOHN WYETH & BROTHER LIMITED (GB) 1989-03-08 EP 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
EP-0306148-B1 Azabicyclic ethers WYETH JOHN & BROTHER LTD (GB) 1994-01-12 EP disclosed
US-5082843-A PYRAZINYL AND PYRIDAZINYL ETHERS JOHN WYETH AND BROTHER LIMITED (GB) 1992-01-21 US disclosed
US-4997839-A 2-quinolyl ethers JOHN WYETH & BROTHER LIMITED (GB) 1991-03-05 US disclosed
US-4929625-A Ethers JOHN WYETH AND BROTHERS LIMITED (GB) 1990-05-29 US disclosed
EP-0306148-A2 Azabicyclic ethers JOHN WYETH & BROTHER LIMITED (GB) 1989-03-08 EP 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 CHRM2 20/4885CHRM4 19/4885CHRM5 16/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 CHRM2 20/4885CHRM4 19/4885CHRM5 16/4885

“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.