SCHEMBL5573722

SCHEMBL5573722

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.38
NSD3 Q9BZ95 1/20 0.36
RIPK1 Q13546 3/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5573716 1.00 CCR5 (0.38) CCR5NSD3RIPK1SLC18A3SIGMAR1
SCHEMBL4597902 0.86 CCR5 (0.44) CCR5NSD3RIPK1SLC18A3SIGMAR1
SCHEMBL5573859 0.86 CCR5 (0.44) CCR5NSD3RIPK1SLC18A3SIGMAR1
SCHEMBL5573869 0.83 GPR119 (0.44) CCR5
SCHEMBL5573862 0.83 GPR119 (0.44) CCR5
SCHEMBL14571163 0.76 RIPK1 (0.43) CCR5NSD3RIPK1SLC18A3SIGMAR1
SCHEMBL4610216 0.74 CCR5 (0.40) CCR5NSD3RIPK1
SCHEMBL5575040 0.74 MEN1 (0.47) CCR5NSD3
SCHEMBL4597932 0.74 MEN1 (0.47) CCR5NSD3
SCHEMBL4598546 0.73 ALDH1A1 (0.41) CCR5RIPK1SIGMAR1

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 1/4885NSD3 4084/4885RIPK1 439/4885

“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.