SCHEMBL1087915

SCHEMBL1087915

C[N+]1(CCc2ncccn2)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 15/20 0.47
CHRM3 P20309 15/20 0.47
KCNH2 Q12809 5/20 0.47
CYP2D6 P10635 4/20 0.47
LMNA P02545 2/20 0.47
SLC6A4 P31645 2/20 0.47
CYP2C19 P33261 1/20 0.47
CHRM1 P11229 7/20 0.46
HRH1 P35367 3/20 0.46
SLC22A1 O15245 1/20 0.46
RAB9A P51151 1/20 0.45
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
OPRK1 P41145 1/20 0.40

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
SCHEMBL1087914 1.00 CHRM2 (0.47) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1087913 1.00 CHRM2 (0.47) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1086620 0.96 CHRM2 (0.45) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1086625 0.96 CHRM2 (0.45) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1086622 0.96 CHRM2 (0.45) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1087438 0.91 CHRM2 (0.44) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1086968 0.91 CHRM2 (0.44) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1087435 0.91 CHRM2 (0.44) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL5245459 0.88 ALDH1A1 (0.49) CHRM2CHRM3KCNH2CYP2D6LMNA
SCHEMBL1086465 0.88 ALDH1A1 (0.49) CHRM2CHRM3KCNH2CYP2D6LMNA

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 CHRM2 1/4885CHRM3 3/4885KCNH2 47/4885

“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.