SCHEMBL12989013

SCHEMBL12989013

CC(C)C1CC2CCC(C1)N2C(=O)OCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 0.43
CHRM2 P08172 2/20 0.43
CHRM3 P20309 1/20 0.43
CHRM5 P08912 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CHRM4 P08173 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL12989012 0.87 GPR119 (0.42) CHRM1CHRM2CHRM3CHRM5NR1H2
SCHEMBL12128829 0.84 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12292725 0.83 CHRM1 (0.46) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12988993 0.81 RAB9A (0.43) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12084215 0.81 CHRM1 (0.45) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12989011 0.80 CHRM1 (0.38) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12086318 0.80 CHRM1 (0.44) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12017210 0.80 CHRM2 (0.68) CHRM1CHRM2CHRM3NR1H2GPR119
SCHEMBL12988771 0.79 CHRM1 (0.37) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL12988976 0.79 CHRM1 (0.38) CHRM1CHRM2CHRM3CHRM5CHRM4

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
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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 (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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRM1 6/4885CHRM2 3/4885CHRM3 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.