SCHEMBL1086465

SCHEMBL1086465

C[N+]1(CCc2ncccn2)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CHRM3 P20309 6/20 0.48
CHRM2 P08172 5/20 0.48
CHRM1 P11229 4/20 0.48
KCNH2 Q12809 4/20 0.48
HRH1 P35367 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
HTR2B P41595 2/20 0.48
POLB P06746 1/20 0.48
SLC6A3 Q01959 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SLC29A1 Q99808 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5245459 1.00 ALDH1A1 (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1086469 1.00 ALDH1A1 (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1086466 1.00 ALDH1A1 (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1087183 0.99 POLB (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1087179 0.99 POLB (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL5252372 0.99 POLB (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1087181 0.99 POLB (0.49) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1086301 0.96 ALDH1A1 (0.48) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL5253053 0.96 ALDH1A1 (0.48) ALDH1A1CHRM3CHRM2CHRM1KCNH2
SCHEMBL1086295 0.96 ALDH1A1 (0.48) ALDH1A1CHRM3CHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831208-B1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2011-08-24 EP claimed
US-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2009-09-10 US claimed
US-8153669-B2 Quaternary ammonium salts as M3 antagonists NOVARTIS AG (CH) 2012-04-10 US disclosed
EP-1831208-B1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2009-09-10 US 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-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS CHRM2, CHRM1, CHRM3 ALDH1A1 3567/4885CHRM3 3/4885CHRM2 1/4885

“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.