SCHEMBL4656771

SCHEMBL4656771

COc1ccc(Oc2ccc(CN3CCC(N4C(=O)NCC4c4ccccc4)CC3)c(C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.58
CCR4 P51679 2/20 0.58
KCNH2 Q12809 2/20 0.57
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL4656766 1.00 CCR5 (0.58) CCR5CCR4KCNH2CHRM3CHRM2
SCHEMBL4608749 0.92 CCR5 (0.59) CCR5CCR4KCNH2CHRM3CHRM2
SCHEMBL4608758 0.92 CCR5 (0.59) CCR5CCR4KCNH2CHRM3CHRM2
SCHEMBL5573768 0.91 CCR5 (0.55) CCR5CCR4KCNH2
SCHEMBL5573763 0.91 CCR5 (0.55) CCR5CCR4KCNH2
SCHEMBL5575635 0.91 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL5575644 0.91 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL5572868 0.89 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5572851 0.89 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5575362 0.87 CCR5 (0.62) CCR5CCR4KCNH2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.