SCHEMBL5029183

SCHEMBL5029183

CCCc1nc(NCC(=O)NC2CCC(NC(C)(C)C)CC2)c2cc(Cl)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
PAK4 O96013 2/20 0.38
CCRL2 O00421 12/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL5029191 1.00 RXFP1 (0.42) RXFP1HRH4PAK4CCRL2POLB
SCHEMBL5029694 0.88 HRH4 (0.40) HRH4PAK4CCRL2POLB
SCHEMBL5031954 0.85 CTNNB1 (0.43) HRH4PAK4CCRL2
SCHEMBL5027260 0.84 CTNNB1 (0.44) HRH4CCRL2
SCHEMBL5029425 0.83 CCNE2 (0.43) RXFP1
SCHEMBL5029624 0.82 CCRL2 (0.49) CCRL2
SCHEMBL5029521 0.74 CCR2 (0.41) HRH4CCRL2
SCHEMBL5029520 0.74 CCR2 (0.41) HRH4CCRL2
SCHEMBL5033776 0.71 CCRL2 (0.42) CCRL2
SCHEMBL5033783 0.71 CCRL2 (0.42) 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 5 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
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO 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 RXFP1 158/4885HRH4 180/4885PAK4 4338/4885

“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.