SCHEMBL4608642

SCHEMBL4608642

N#Cc1ccc(CN2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.68
CCR4 P51679 2/20 0.59
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56

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
SCHEMBL4608647 1.00 CCR5 (0.68) CCR5CCR4CHRM2CHRM3
SCHEMBL4610331 0.87 CCR5 (0.72) CCR5CCR4CHRM2CHRM3
SCHEMBL5572519 0.87 CCR5 (0.72) CCR5CCR4CHRM2CHRM3
SCHEMBL4610329 0.87 CCR5 (0.72) CCR5CCR4CHRM2CHRM3
SCHEMBL5572517 0.87 CCR5 (0.72) CCR5CCR4CHRM2CHRM3
SCHEMBL4625631 0.87 CCR5 (0.80) CCR5CCR4
SCHEMBL4597695 0.87 CCR5 (0.80) CCR5CCR4
SCHEMBL5573709 0.84 CCR5 (0.67) CCR5CCR4CHRM2CHRM3
SCHEMBL5573713 0.84 CCR5 (0.67) CCR5CCR4CHRM2CHRM3
SCHEMBL5576660 0.83 CCR5 (0.68) CCR5CCR4CHRM2CHRM3

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 2/4885CHRM2 1961/4885

“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.