SCHEMBL13698552

SCHEMBL13698552

CCOC(=O)N1C2CCC1CC(N1CCN(c3c(F)cccc3C#N)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.44
CHRM5 P08912 2/20 0.42
CHRM2 P08172 1/20 0.42
AOC3 Q16853 3/20 0.41
CHRM4 P08173 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
SCHEMBL13698551 0.85 CHRM1 (0.50) CHRM1CHRM5CHRM2CHRM4
SCHEMBL3453802 0.80 KDM4E (0.51) CHRM1
SCHEMBL13698554 0.78 SLC6A9 (0.47) CHRM1AOC3
SCHEMBL3453198 0.77 HRH3 (0.48) CHRM1CHRM5CHRM2CHRM4
SCHEMBL3453501 0.76 ALDH1A1 (0.44) CHRM1
SCHEMBL3604310 0.74 ALDH1A1 (0.47) CHRM1CHRM5CHRM2CHRM4
SCHEMBL3453746 0.74 P2RY12 (0.48) CHRM1CHRM5CHRM2CHRM4
SCHEMBL3454291 0.73 PANK3 (0.49) CHRM1
SCHEMBL5197445 0.73 MAPT (0.42) CHRM1CHRM5CHRM2CHRM4
SCHEMBL3453576 0.72 HRH3 (0.51) CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRM1 6/4885CHRM5 2/4885CHRM2 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.