SCHEMBL4171071

SCHEMBL4171071

C=CCOC(=O)N1C2CCC1CC(NC(=O)CN)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.51
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ENPP2 Q13822 1/20 0.35
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL13853082 1.00 CHRM1 (0.51) CHRM1ALDH1A1GAAENPP2CHRM4
SCHEMBL13686569 1.00 CHRM1 (0.51) CHRM1ALDH1A1GAAENPP2CHRM4
SCHEMBL2226038 0.82 CHRM1 (0.62) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13686549 0.81 CHRM1 (0.55) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL3870222 0.81 CHRM1 (0.50) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13686551 0.81 CHRM1 (0.50) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13853080 0.81 CHRM1 (0.50) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13853380 0.79 ALDH1A1 (0.34) CHRM1ALDH1A1GAA
SCHEMBL13686552 0.79 CHRM1 (0.49) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13686550 0.79 CHRM1 (0.49) CHRM1ALDH1A1GAACHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 CHRM1 394/4885ALDH1A1 628/4885GAA 4088/4885

“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.