SCHEMBL5031954

SCHEMBL5031954

CNc1nc(NCC(=O)NC2CCC(NC(C)(C)C)CC2)c2cc(Cl)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.43
TCF7L2 Q9NQB0 8/20 0.43
HTR3A P46098 1/20 0.42
CCRL2 O00421 5/20 0.41
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL5029694 0.89 HRH4 (0.40) HTR3ACCRL2AURKADAPK3JAK2
SCHEMBL5027260 0.86 CTNNB1 (0.44) CTNNB1TCF7L2CCRL2HRH4
SCHEMBL5029191 0.85 RXFP1 (0.42) CCRL2PAK4HRH4
SCHEMBL5029183 0.85 RXFP1 (0.42) CCRL2PAK4HRH4
SCHEMBL5029624 0.73 CCRL2 (0.49) CCRL2
SCHEMBL5031901 0.72 CCRL2 (0.71) CCRL2
SCHEMBL5031851 0.72 CCRL2 (0.54) CCRL2
SCHEMBL5027107 0.72 CCRL2 (0.51) CCRL2MAP4K4
SCHEMBL5029121 0.70 CCRL2 (0.50) CCRL2
SCHEMBL5033574 0.70 CCRL2 (0.62) 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 CTNNB1 4439/4885TCF7L2 1658/4885HTR3A 966/4885

“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.