SCHEMBL6503791

SCHEMBL6503791

Cc1nn(C)c2nc(NCCCN3CCCCC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.61
CCR5 P51681 2/20 0.61
MCHR1 Q99705 4/20 0.43
ALOX15 P16050 1/20 0.40
MCHR2 Q969V1 2/20 0.39
HTR2A P28223 4/20 0.39
CCR3 P51677 3/20 0.39
TERT O14746 1/20 0.39
MET P08581 1/20 0.39
NR3C1 P04150 2/20 0.38
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.38

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
Hydrochloric Acid SCHEMBL6882397 0.99 CCR2 (0.61) CCR2CCR5MCHR1ALOX15MCHR2
SCHEMBL6494260 0.99 CCR2 (0.62) CCR2CCR5MCHR1ALOX15MCHR2
Hydrochloric Acid SCHEMBL6496040 0.99 CCR2 (0.62) CCR2CCR5MCHR1ALOX15MCHR2
SCHEMBL6497854 0.96 CCR2 (0.62) CCR2CCR5MCHR1HTR2ATERT
Hydrochloric Acid SCHEMBL6505785 0.95 CCR2 (0.63) CCR2CCR5MCHR1HTR2ATERT
SCHEMBL6493795 0.95 CCR2 (0.63) CCR2CCR5MCHR1HTR2ATERT
Hydrochloric Acid SCHEMBL6494133 0.94 CCR2 (0.64) CCR2CCR5MCHR1HTR2ATERT
SCHEMBL6493525 0.88 CCR2 (0.61) CCR2CCR5MCHR1NR3C1
Hydrochloric Acid SCHEMBL6496784 0.88 CCR2 (0.61) CCR2CCR5MCHR1NR3C1
SCHEMBL6504815 0.88 CCR2 (0.62) CCR2CCR5MCHR1HTR2AMET

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 9/4885MCHR1 571/4885

“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.