SCHEMBL4240609

SCHEMBL4240609

CC(CC(N)=O)N1CCC(C2(c3ccc(C#N)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.46
HRH3 Q9Y5N1 3/20 0.39
HSD11B1 P28845 2/20 0.37
OGA O60502 2/20 0.35
BRD4 O60885 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR1A P08908 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4242469 0.87 CCR5 (0.51) CCR5HSD11B1OPRM1OPRL1SIGMAR1
SCHEMBL4239988 0.87 CCR5 (0.49) CCR5HSD11B1OPRL1KCNH2
SCHEMBL4244513 0.86 CCR5 (0.47) CCR5OPRD1
SCHEMBL4242941 0.85 CCR5 (0.46) CCR5HSD11B1SIRT2SIRT1
SCHEMBL4240614 0.85 CCR5 (0.46) CCR5HRH3OPRM1OPRL1OPRD1
SCHEMBL4240153 0.84 CCR5 (0.62) CCR5HSD11B1OGASIRT2SIRT1
SCHEMBL4240438 0.81 CCR5 (0.43) CCR5HRH3SIRT1
SCHEMBL4240048 0.79 CCR5 (0.60) CCR5
SCHEMBL4240612 0.79 BRD4 (0.39) CCR5HRH3OGABRD4
SCHEMBL13952551 0.77 CCR5 (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885HRH3 703/4885HSD11B1 999/4885

“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.