SCHEMBL4597975

SCHEMBL4597975

CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(Cc2ccc(Sc3ccc(C(=O)OC)cc3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.62
CCR4 P51679 2/20 0.62
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5572720 0.92 CCR5 (0.73) CCR5CCR4KCNH2
SCHEMBL5576588 0.90 CCR5 (0.63) CCR5CCR4KCNH2KMT2AMAPK1
SCHEMBL4597895 0.90 CCR5 (0.63) CCR5CCR4KCNH2KMT2AMAPK1
SCHEMBL4596051 0.88 CCR5 (0.64) CCR5CCR4KCNH2KDM4E
SCHEMBL4597383 0.85 CCR5 (0.85) CCR5CCR4KCNH2
SCHEMBL4598019 0.85 CCR5 (0.85) CCR5CCR4KCNH2
SCHEMBL4627093 0.82 CCR5 (0.72) CCR5CCR4KCNH2
SCHEMBL5576452 0.82 CCR5 (0.72) CCR5CCR4KCNH2
SCHEMBL5572573 0.81 CCR5 (0.74) CCR5CCR4KCNH2
SCHEMBL5572574 0.81 CCR5 (0.74) CCR5CCR4KCNH2

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.