SCHEMBL6300528

SCHEMBL6300528

CCOC(=O)c1cc2cc(N3CCOCC3)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 1/20 0.53
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
CCR2 P41597 12/20 0.50
ABCB11 O95342 2/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
F10 P00742 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6308051 0.92 NOD2 (0.53) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6390245 0.86 CCR2 (0.68) PIK3C2BCCR2ABCB11
SCHEMBL6300934 0.83 NOD2 (0.66) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6598219 0.82 CCR2 (0.71) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6300560 0.82 NOD2 (0.58) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6307761 0.81 NOD2 (0.60) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6307920 0.81 CCR2 (0.72) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6302592 0.81 NOD2 (0.57) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL6300663 0.80 NOD2 (0.56) NOD2NOD1CCR2ABCB11MAPT
SCHEMBL5213582 0.80 NOD2 (0.78) NOD2NOD1CCR2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO 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-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 PIK3C2B 3941/4885NOD2 470/4885NOD1 717/4885

“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.