SCHEMBL4596557

SCHEMBL4596557

O=C1N(CC2CCOCC2)C[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NR1H2 P55055 1/20 0.38

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
SCHEMBL4596564 1.00 CCR5 (0.53) CCR5HDAC1HDAC8HDAC6NR1H2
SCHEMBL13969447 0.85 CCR5 (0.68) CCR5HDAC1HDAC8HDAC6
SCHEMBL4607778 0.81 DRD2 (0.44) CCR5HDAC1HDAC8HDAC6
SCHEMBL3754248 0.81 CCR5 (0.53) CCR5
SCHEMBL3754244 0.81 CCR5 (0.53) CCR5
SCHEMBL5576348 0.79 CCR5 (0.57) CCR5HDAC1HDAC8HDAC6
SCHEMBL4597618 0.79 CCR5 (0.57) CCR5HDAC1HDAC8HDAC6
SCHEMBL13946593 0.78 CCR5 (0.71) CCR5HDAC1HDAC8HDAC6
SCHEMBL4429234 0.77 CCR5 (0.41) CCR5
SCHEMBL5575406 0.75 CCR5 (0.50) CCR5

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 1/4885HDAC1 958/4885HDAC8 1305/4885

“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.