SCHEMBL5699732

SCHEMBL5699732

OC1(c2ccc(Br)cc2)CCN(Cc2cc(Br)ccc2OCC2CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.66
DRD2 P14416 7/20 0.47
DRD4 P21917 7/20 0.47
DRD3 P35462 7/20 0.47
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5699930 0.87 CCR5 (0.64) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699985 0.85 CCR5 (0.70) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699886 0.83 CCR5 (0.67) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699954 0.83 CCR5 (0.67) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699730 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699791 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699938 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699672 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5699870 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E
SCHEMBL5700182 0.82 CCR5 (0.66) CCR5DRD2DRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1902171-A Benzylether amine compounds useful as CCR-5 antagonists SCHERING AG (DE) 2007-01-24 CN claimed
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
CN-1902171-A Benzylether amine compounds useful as CCR-5 antagonists SCHERING AG (DE) 2007-01-24 CN disclosed
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 7/4885DRD2 570/4885DRD4 625/4885

“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.