SCHEMBL2998936

SCHEMBL2998936

CCOC(=O)N1C2CCC1CC(N1CCC(N)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.51
CHRM5 P08912 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.43
GAA P10253 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
SCHEMBL3003076 0.86 CHRM1 (0.52) CHRM1CHRM5CHRM2CHRM4
SCHEMBL1574138 0.84 CHRM1 (0.48) CHRM1CHRM5CHRM2CHRM4GAA
SCHEMBL1338719 0.84 CHRM1 (0.48) CHRM1CHRM5CHRM2CHRM4GAA
SCHEMBL1116674 0.84 CHRM1 (0.48) CHRM1CHRM5CHRM2CHRM4GAA
SCHEMBL1116676 0.84 CHRM1 (0.48) CHRM1CHRM5CHRM2CHRM4GAA
SCHEMBL15618700 0.84 CHRM1 (0.53) CHRM1CHRM5CHRM2CHRM4GAA
SCHEMBL15618889 0.84 MAPT (0.52) CHRM1CHRM5CHRM2
SCHEMBL12337163 0.83 CHRM1 (0.56) CHRM1CHRM5CHRM2CHRM4
Hydrochloric Acid SCHEMBL15137263 0.82 CHRM1 (0.55) CHRM1CHRM5CHRM2CHRM4
SCHEMBL2996155 0.81 CHRM1 (0.50) CHRM1CHRM5CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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 (2 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 CHRM1 5/4885CHRM5 2/4885CHRM2 4/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 CHRM1 5/4885CHRM5 2/4885CHRM2 4/4885

“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.