SCHEMBL4597902

SCHEMBL4597902

CC(C)(C)N1CC(c2ccccc2)N(C2CCNCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.44
NSD3 Q9BZ95 1/20 0.41
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RIPK1 Q13546 5/20 0.37
HTR6 P50406 2/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5573859 1.00 CCR5 (0.44) CCR5NSD3SLC18A3SIGMAR1RIPK1
SCHEMBL4610216 0.87 CCR5 (0.40) CCR5NSD3RIPK1KMT2A
SCHEMBL5573716 0.86 CCR5 (0.38) CCR5NSD3SLC18A3SIGMAR1RIPK1
SCHEMBL5573722 0.86 CCR5 (0.38) CCR5NSD3SLC18A3SIGMAR1RIPK1
SCHEMBL4598546 0.85 ALDH1A1 (0.41) CCR5SIGMAR1RIPK1HTR6HPGD
SCHEMBL4552558 0.84 CCR5 (0.47) CCR5
SCHEMBL14571163 0.83 RIPK1 (0.43) CCR5NSD3SLC18A3SIGMAR1RIPK1
SCHEMBL4610211 0.82 CCR5 (0.37) CCR5HTR6SMN1; SMN2
SCHEMBL4596490 0.80 GPR119 (0.49) CCR5KMT2A
SCHEMBL4596495 0.80 GPR119 (0.49) CCR5KMT2A

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 1/4885NSD3 4084/4885SLC18A3 1545/4885

“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.