SCHEMBL13686557

SCHEMBL13686557

C=CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.59
CCR2 P41597 12/20 0.51
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
GRM5 P41594 1/20 0.42
CACNA1H O95180 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4166296 1.00 CHRM1 (0.59) CHRM1CCR2CHRM4CHRM5GRM5
SCHEMBL13686583 0.88 CCR2 (0.58) CHRM1CCR2
SCHEMBL4178969 0.88 CCR2 (0.58) CHRM1CCR2
SCHEMBL3974005 0.83 CCR2 (0.58) CHRM1CCR2GRM5CACNA1HL3MBTL1
SCHEMBL3974004 0.83 CCR2 (0.58) CHRM1CCR2GRM5CACNA1HL3MBTL1
SCHEMBL3869069 0.77 CCR2 (0.69) CCR2
SCHEMBL3869073 0.77 CCR2 (0.69) CCR2
SCHEMBL3870197 0.77 CCR2 (0.69) CCR2
SCHEMBL3879508 0.77 MEN1 (0.63) CCR2L3MBTL1
SCHEMBL13853132 0.77 MEN1 (0.63) CCR2L3MBTL1

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 394/4885CCR2 6/4885CHRM4 825/4885

“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.