SCHEMBL6494233

SCHEMBL6494233

Cc1nn(C)c2nc(N(C)CCN3CCCC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.82
CCR5 P51681 3/20 0.82
NR3C1 P04150 4/20 0.39
TERT O14746 3/20 0.38
MCHR1 Q99705 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MET P08581 1/20 0.34
GCK P35557 2/20 0.34

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
SCHEMBL6503774 0.99 CCR2 (0.81) CCR2CCR5NR3C1TERTMCHR1
Hydrochloric Acid SCHEMBL6496024 0.99 CCR2 (0.82) CCR2CCR5NR3C1TERTMCHR1
Hydrochloric Acid SCHEMBL6882376 0.99 CCR2 (0.81) CCR2CCR5NR3C1TERTMCHR1
SCHEMBL18841098 0.90 CCR2 (1.00) CCR2CCR5NR3C1MCHR1
SCHEMBL6505132 0.86 CCR2 (0.65) CCR2CCR5NR3C1TERTMCHR1
SCHEMBL6495567 0.86 CCR2 (0.64) CCR2CCR5NR3C1TERTMCHR1
Hydrochloric Acid SCHEMBL6498319 0.86 CCR2 (0.65) CCR2CCR5NR3C1TERTMCHR1
SCHEMBL6502700 0.85 CCR2 (0.63) CCR2CCR5NR3C1TERTMCHR1
SCHEMBL6493795 0.85 CCR2 (0.63) CCR2CCR5NR3C1TERTMCHR1
Hydrochloric Acid SCHEMBL6496230 0.85 CCR2 (0.65) CCR2CCR5NR3C1TERTMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962926-B2 Antagonist of MCP-1 function, and compositions and methods of use thereof TELIK, INC. (US) 2005-11-08 US claimed
US-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2004-10-07 US claimed
US-6962926-B2 Antagonist of MCP-1 function, and compositions and methods of use thereof TELIK, INC. (US) 2005-11-08 US disclosed
US-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2004-10-07 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-20040198719-A1 Antagonist of MCP-1 function, and compositions and methods of use thereof CCR1, CCL11, CCL2 CCR2 4/4885CCR5 9/4885NR3C1 788/4885

“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.