SCHEMBL5576525

SCHEMBL5576525

NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)CC4c4ccccc4)CC3)cn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.82
KCNH2 Q12809 1/20 0.65
CCR4 P51679 2/20 0.56
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL5576521 1.00 CCR5 (0.82) CCR5KCNH2CCR4OPRM1OPRK1
SCHEMBL5576623 0.94 CCR5 (0.86) CCR5KCNH2CCR4
SCHEMBL5576629 0.94 CCR5 (0.86) CCR5KCNH2CCR4
SCHEMBL5572447 0.93 CCR5 (0.89) CCR5KCNH2CCR4OPRM1OPRK1
SCHEMBL5572446 0.93 CCR5 (0.89) CCR5KCNH2CCR4OPRM1OPRK1
SCHEMBL14614209 0.87 CCR5 (0.90) CCR5KCNH2CCR4
SCHEMBL4609766 0.87 CCR5 (0.69) CCR5KCNH2CCR4
SCHEMBL4597285 0.87 CCR5 (0.69) CCR5KCNH2CCR4
SCHEMBL4597104 0.86 CCR5 (1.00) CCR5KCNH2CCR4
SCHEMBL4597100 0.86 CCR5 (1.00) CCR5KCNH2CCR4

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 1/4885KCNH2 4762/4885CCR4 2/4885

“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.