SCHEMBL5046019

SCHEMBL5046019

O=C(c1cccnc1)C1CCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
SIRT4 Q9Y6E7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9668119 1.00 SLC18A3 (0.54) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL9665275 0.98 SLC18A3 (0.56) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL8245353 0.95 SLC18A3 (0.56) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL7447435 0.91 SLC18A3 (0.58) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL13409600 0.89 SLC18A3 (0.55) SLC18A3ALDH1A1GAAMAPTKLK7
SCHEMBL4670842 0.85 SLC18A3 (0.53) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL4670846 0.83 SLC18A3 (0.52) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL15563729 0.83 SLC18A3 (0.52) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL18239382 0.83 SLC18A3 (0.52) SLC18A3ALDH1A1SMN1; SMN2APPGAA
SCHEMBL2427999 0.83 SLC18A3 (0.52) SLC18A3ALDH1A1SMN1; SMN2APPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 SLC18A3 93/4885ALDH1A1 727/4885SMN1; SMN2 2829/4885

“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.