SCHEMBL6354836

SCHEMBL6354836

c1ccc2ncc(C3CN4CCC3CC4)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
SLC6A4 P31645 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR3A P46098 2/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4689211 0.77 CHRNA7 (0.64) CHRNA7SLC6A4CHRM2CHRM4CHRM5
SCHEMBL6344857 0.77 CHRNA7 (0.50) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9718610 0.76 KCNH2 (0.55)
SCHEMBL6344390 0.75 CHRNA7 (0.49) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL6343635 0.74 CHRM2 (0.50) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL17785558 0.73 KDM4E (0.56) SLC6A4HTR3AALDH1A1
SCHEMBL3217359 0.72 CHRNA7 (1.00) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL6345310 0.72 CHRNA7 (0.51) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL8142150 0.71 KDM4E (0.47) CHRNA7SLC6A4HTR3A
SCHEMBL17147930 0.71 SLC6A4 (0.53) SLC6A4HTR3AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044026-A1 3-Substituted quinuclidines and their use as nicotinic agonists ANIONA APS (DK) 2004-03-04 US claimed
EP-1339712-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2003-09-03 EP claimed
WO-2002044176-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2002-06-06 WO claimed
US-6884807-B2 3-substituted quinuclidines and their use as nicotinic agonists NEUROSEARCH, A/S (DE) 2005-04-26 US disclosed
US-20040044026-A1 3-Substituted quinuclidines and their use as nicotinic agonists ANIONA APS (DK) 2004-03-04 US disclosed
EP-1339712-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2003-09-03 EP disclosed
WO-2002044176-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE AS NICOTINIC AGONISTS NEUROSEARCH A/S (DK) 2002-06-06 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 (1 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-20040044026-A1 3-Substituted quinuclidines and their use as nicotinic agonists CHRNA3, CHRNA5, CHRNA7 CHRNA7 3/4885SLC6A4 61/4885CHRM2 23/4885

“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.