SCHEMBL4945156

SCHEMBL4945156

CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N[C@H]2CCOC[C@H]2C)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.69
CCR5 P51681 3/20 0.68

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
SCHEMBL14101024 1.00 CCR2 (0.69) CCR2CCR5
SCHEMBL4944709 1.00 CCR2 (0.69) CCR2CCR5
SCHEMBL14100772 0.93 CCR2 (0.70) CCR2
SCHEMBL14100895 0.92 CCR2 (0.69) CCR2
SCHEMBL14100898 0.92 CCR2 (0.69) CCR2
SCHEMBL14100791 0.90 CCR2 (0.78) CCR2CCR5
SCHEMBL14100769 0.90 CCR2 (0.78) CCR2CCR5
SCHEMBL14101175 0.89 CCR2 (0.73) CCR2
SCHEMBL14101168 0.89 CCR2 (0.76) CCR2
SCHEMBL14100915 0.88 CCR2 (0.64) CCR2CCR5

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-20080194548-A1 Drug Combination Therapy and Pharmaceutical Compositions for Treating Inflammatory Disorders MERCK SHARP & DOHME CORP. 2008-08-14 US claimed

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-20080194548-A1 Drug Combination Therapy and Pharmaceutical Compositions for Treating Inflammatory Disorders CCR2, CCR1, CCR5 CCR2 1/4885CCR5 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.