SCHEMBL1747836

SCHEMBL1747836

CCOC(=O)N1CCC(N2CCC3(CC2)OC(=O)c2ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
KCNH2 Q12809 2/20 0.49
NPY5R Q15761 2/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 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
Hydrochloric Acid SCHEMBL1747850 0.99 L3MBTL1 (0.56) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL11840173 0.89 HRH3 (0.55) L3MBTL1NPY5RSIGMAR1HRH3
SCHEMBL12935182 0.89 SMN1; SMN2 (0.53) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL12935067 0.87 MEN1 (0.49) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL13314907 0.85 KCNH2 (0.56) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL12934760 0.79 L3MBTL1 (0.57) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL13314855 0.78 KCNH2 (0.49) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL14307534 0.78 L3MBTL1 (0.53) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL12991327 0.77 L3MBTL1 (0.52) L3MBTL1CHRM1CHRM2CHRM4CHRM5
SCHEMBL1747717 0.77 L3MBTL1 (0.54) L3MBTL1CHRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 L3MBTL1 3986/4885CHRM1 6/4885CHRM2 3/4885

“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.