SCHEMBL13853083

SCHEMBL13853083

C=CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.46
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.34
KCNA3 P22001 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL4169723 1.00 CHRM1 (0.46) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL13686578 1.00 CHRM1 (0.46) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL3873462 0.82 KMT2A (0.45) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL3872039 0.82 KMT2A (0.45) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL3872034 0.82 KMT2A (0.45) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL4171071 0.78 CHRM1 (0.51) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13853082 0.78 CHRM1 (0.51) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13686569 0.78 CHRM1 (0.51) CHRM1ALDH1A1GAACHRM4CHRM5
SCHEMBL13686549 0.75 CHRM1 (0.55) CHRM1CHRM2CHRM3ALDH1A1GAA
SCHEMBL13686551 0.75 CHRM1 (0.50) CHRM1CHRM2CHRM3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
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
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 394/4885CHRM2 420/4885CHRM3 127/4885

“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.