SCHEMBL6502682

SCHEMBL6502682

Cc1nn(C)c2nc(OCCN3CCOCC3)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.61
CCR5 P51681 2/20 0.61
NR3C1 P04150 1/20 0.46
GRM4 Q14833 3/20 0.45
EPHX2 P34913 10/20 0.45
RXFP1 Q9HBX9 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL6495517 0.99 CCR2 (0.61) CCR2CCR5NR3C1GRM4EPHX2
SCHEMBL6502700 0.93 CCR2 (0.63) CCR2CCR5NR3C1RXFP1
SCHEMBL6503802 0.93 CCR2 (0.62) CCR2CCR5NR3C1RXFP1
Hydrochloric Acid SCHEMBL6502089 0.93 CCR2 (0.64) CCR2CCR5NR3C1RXFP1
Hydrochloric Acid SCHEMBL6503076 0.92 CCR2 (0.63) CCR2CCR5NR3C1RXFP1
SCHEMBL6504815 0.89 CCR2 (0.62) CCR2CCR5NR3C1EPHX2
Hydrochloric Acid SCHEMBL6502207 0.88 CCR2 (0.62) CCR2CCR5NR3C1EPHX2
SCHEMBL6495610 0.88 CCR2 (0.62) CCR2CCR5NR3C1EPHX2POLB
Hydrochloric Acid SCHEMBL6495520 0.88 CCR2 (0.63) CCR2CCR5NR3C1EPHX2POLB
SCHEMBL6493525 0.87 CCR2 (0.61) CCR2CCR5NR3C1EPHX2POLB

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.