SCHEMBL5575950

SCHEMBL5575950

O=C(NC1CCC(O)CC1)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)CC3c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.77
CCR4 P51679 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL5575948 1.00 CCR5 (0.77) CCR5CCR4CHRM2CHRM3
SCHEMBL5576649 0.95 CCR5 (0.82) CCR5CHRM2CHRM3
SCHEMBL5576646 0.95 CCR5 (0.82) CCR5CHRM2CHRM3
SCHEMBL14571156 0.93 CCR5 (0.76) CCR5CCR4CHRM2CHRM3
SCHEMBL5573661 0.93 CCR5 (0.76) CCR5CCR4CHRM2CHRM3
SCHEMBL5573651 0.93 CCR5 (0.76) CCR5CCR4CHRM2CHRM3
SCHEMBL5573657 0.93 CCR5 (0.76) CCR5CCR4CHRM2CHRM3
SCHEMBL5572581 0.92 CCR5 (0.77) CCR5CCR4CHRM2CHRM3
SCHEMBL5572584 0.92 CCR5 (0.77) CCR5CCR4CHRM2CHRM3
SCHEMBL5576118 0.91 CCR5 (0.76) CCR5CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-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.