SCHEMBL4244524

SCHEMBL4244524

CC(CC(N)=O)N1CCC(N(Cc2cccc(C#N)c2)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.52
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
OGA O60502 1/20 0.37
F10 P00742 1/20 0.37
KDM1A O60341 1/20 0.37
PGR P06401 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL4245266 0.95 CCR5 (0.52) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4242208 0.93 CCR5 (0.50) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4244533 0.87 CCR5 (0.52) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4242902 0.87 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4241155 0.87 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4247129 0.86 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4248686 0.86 CCR5 (0.56) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4244944 0.85 CCR5 (0.56) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4248710 0.85 CCR5 (0.51) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4240326 0.85 CCR5 (0.65) CCR5KCNH2UBE2MDCUN1D1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US claimed
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 1/4885SLC6A2 3198/4885SLC6A4 3084/4885

“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.