SCHEMBL5699892

SCHEMBL5699892

CN(C)CC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.62
LRRK2 Q5S007 2/20 0.48
STAT3 P40763 1/20 0.47
PTGER1 P34995 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SLC6A4 P31645 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL5700391 0.86 LRRK2 (0.52) CCR5LRRK2
SCHEMBL5699793 0.85 CCR5 (0.58) CCR5LRRK2STAT3PTGER1NPSR1
SCHEMBL1647846 0.83 CCR5 (0.62) CCR5LRRK2STAT3PTGER1
SCHEMBL5699883 0.81 CCR5 (0.57) CCR5LRRK2STAT3PTGER1NPSR1
SCHEMBL1646798 0.80 CCR5 (0.58) CCR5LRRK2STAT3NPSR1SLC6A4
SCHEMBL5699779 0.79 CCR5 (0.58) CCR5LRRK2STAT3PTGER1NPSR1
SCHEMBL5699665 0.79 CCR5 (0.57) CCR5LRRK2STAT3PTGER1NPSR1
SCHEMBL5699869 0.77 CCR5 (1.00) CCR5STAT3NPSR1
SCHEMBL5700041 0.76 CCR5 (0.62) CCR5STAT3NPSR1SLC6A4
SCHEMBL5699904 0.74 CCR5 (0.59) CCR5STAT3NPSR1SLC6A4

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
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 EP claimed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 WO claimed
US-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 US claimed
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 WO disclosed
US-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 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-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists CCR1, CCR3, CCR4 CCR5 7/4885LRRK2 1531/4885STAT3 2032/4885

“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.