SCHEMBL5033701

SCHEMBL5033701

CC(C)c1cccc(-c2ccc3ncnc(NCC(=O)NC4CCC(NC(C)(C)C)CC4)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 19/20 0.48
MAP4K4 O95819 1/20 0.45

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
SCHEMBL5029121 0.92 CCRL2 (0.50) CCRL2
SCHEMBL5027107 0.89 CCRL2 (0.51) CCRL2MAP4K4
SCHEMBL5029067 0.88 CCRL2 (0.51) CCRL2
SCHEMBL5029577 0.86 CLK4 (0.60) CCRL2
SCHEMBL5029267 0.86 CCRL2 (0.59) CCRL2
SCHEMBL5031903 0.86 IRAK4 (0.55) CCRL2
SCHEMBL5033636 0.85 CCRL2 (0.55) CCRL2
SCHEMBL5027259 0.85 CCRL2 (0.53) CCRL2
SCHEMBL5033574 0.83 CCRL2 (0.62) CCRL2
SCHEMBL5029584 0.83 CCRL2 (0.50) CCRL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCRL2 15/4885MAP4K4 2871/4885

“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.