SCHEMBL4178969

SCHEMBL4178969

C=CCOC(=O)N1C2CCC1CC(NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.58
CHRM1 P11229 1/20 0.57
KCNH2 Q12809 9/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL13686583 1.00 CCR2 (0.58) CCR2CHRM1KCNH2MEN1KMT2A
SCHEMBL13686557 0.88 CHRM1 (0.59) CCR2CHRM1
SCHEMBL4166296 0.88 CHRM1 (0.59) CCR2CHRM1
SCHEMBL3873787 0.85 CCR2 (0.66) CCR2KCNH2MEN1KMT2A
SCHEMBL3873789 0.85 CCR2 (0.66) CCR2KCNH2MEN1KMT2A
SCHEMBL13853135 0.85 RXFP1 (0.48) CCR2CHRM1KCNH2
SCHEMBL13853136 0.85 RXFP1 (0.48) CCR2CHRM1KCNH2
SCHEMBL3874185 0.77 CCR2 (0.71) CCR2KCNH2
SCHEMBL3874180 0.77 CCR2 (0.71) CCR2KCNH2
SCHEMBL3874207 0.77 CCR2 (0.72) CCR2

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 CCR2 6/4885CHRM1 394/4885KCNH2 3671/4885

“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.