SCHEMBL13612603

SCHEMBL13612603

CCC(=O)NC1CCCCNC1=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.70
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CXCR4 P61073 1/20 0.56
RAB9A P51151 1/20 0.56
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
NOD1 Q9Y239 1/20 0.54

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
SCHEMBL12234157 0.95 CCR2 (0.63) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL14752930 0.95 CCR2 (0.63) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12233623 0.95 CCR2 (0.63) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL14752934 0.88 CCR2 (0.55) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12233283 0.88 CCR2 (0.55) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL12233371 0.88 CCR2 (0.55) CCR2CCR1CCR5CXCR4RAB9A
SCHEMBL1872428 0.84 CCR2 (0.62) CCR2RAB9A
SCHEMBL8378854 0.83 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL8379050 0.83 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL27476000 0.83 CCR2 (1.00) CCR2CCR1CCR5CXCR4NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
WO-2009026204-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-02-26 WO disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (5 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CCR2 1658/4885CCR1 1458/4885CCR5 1315/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CCR2 1658/4885CCR1 1458/4885CCR5 1315/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CCR2 1658/4885CCR1 1458/4885CCR5 1315/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CCR2 1658/4885CCR1 1458/4885CCR5 1315/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CCR2 1658/4885CCR1 1458/4885CCR5 1315/4885

“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.