SCHEMBL15063299

SCHEMBL15063299

CC1CC(C)CN(C(C(=O)OC2CN3CCC2CC3)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.55
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRNA7 P36544 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL15063298 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063172 0.90 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063174 0.90 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063233 0.86 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063234 0.86 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063257 0.85 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063171 0.85 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063168 0.85 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063259 0.85 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL15063242 0.83 CHRM3 (0.54) CHRM3CHRM2CHRM1CHRNA7BCHE

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-2797910-B1 QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
EP-2797910-A1 QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-11-05 EP disclosed
US-8748613-B2 Quinuclidine esters of 1-azaheterocyclylacetic acid as antimuscarinic agents, process for their preparation and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-10 US disclosed
US-20130172302-A1 QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-04 US disclosed
WO-2013098145-A1 QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-04 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-20130172302-A1 QUINUCLIDINE ESTERS OF 1-AZAHETEROCYCLYLACETIC ACID AS ANTIMUSCARINIC AGENTS, PROCESS FOR THEIR PREPARATION AND MEDICINAL COMPOSITIONS THEREOF CHRM1, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 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.