SCHEMBL1087244

SCHEMBL1087244

C[N+]1(CCCc2ccncc2)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 17/20 0.68
CHRM3 P20309 17/20 0.68
LMNA P02545 2/20 0.68
CYP2D6 P10635 2/20 0.68
KCNH2 Q12809 2/20 0.68
CHRM1 P11229 1/20 0.68
HRH1 P35367 1/20 0.68
RAB9A P51151 1/20 0.67
CYP2C19 P33261 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC22A1 O15245 1/20 0.60

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
SCHEMBL1087251 1.00 CHRM2 (0.68) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1087248 1.00 CHRM2 (0.68) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1086996 0.94 CHRM2 (0.70) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1086993 0.94 CHRM2 (0.70) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1086995 0.94 CHRM2 (0.70) CHRM2CHRM3LMNACYP2D6KCNH2
Bromide SCHEMBL1873397 0.92 RAB9A (0.75) CHRM2CHRM3LMNACYP2D6KCNH2
Bromide SCHEMBL1873399 0.92 RAB9A (0.75) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1087691 0.90 CHRM3 (0.64) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1087684 0.90 CHRM3 (0.64) CHRM2CHRM3LMNACYP2D6KCNH2
SCHEMBL1087688 0.90 CHRM3 (0.64) CHRM2CHRM3LMNACYP2D6KCNH2

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-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2009-09-10 US claimed
EP-1831208-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS Novartis AG (CH) 2007-09-12 EP claimed
WO-2006066929-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2006-06-29 WO claimed
US-8153669-B2 Quaternary ammonium salts as M3 antagonists NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-1831208-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS Novartis AG (CH) 2007-09-12 EP disclosed
WO-2006066929-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2006-06-29 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-20090227590-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM2 1/4885CHRM3 3/4885LMNA 2924/4885

“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.