SCHEMBL4239108

SCHEMBL4239108

CC(CCN)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.62
UBE2M P61081 5/20 0.38
DCUN1D1 Q96GG9 5/20 0.38
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4242880 0.90 CCR5 (0.53) CCR5UBE2MDCUN1D1MAOAMAOB
SCHEMBL4247923 0.89 CCR5 (0.52) CCR5UBE2MDCUN1D1
SCHEMBL4245517 0.87 CCR5 (0.49) CCR5UBE2MDCUN1D1OPRM1SLC6A2
SCHEMBL4242471 0.86 CCR5 (0.51) CCR5UBE2MDCUN1D1
SCHEMBL4239992 0.86 CCR5 (0.49) CCR5UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL4240153 0.85 CCR5 (0.62) CCR5UBE2MDCUN1D1SIRT2SIRT1
SCHEMBL4240091 0.84 CCR5 (0.48) CCR5UBE2MDCUN1D1SLC6A2SLC6A4
SCHEMBL4242947 0.84 CCR5 (0.46) CCR5UBE2MDCUN1D1SIRT2SIRT1
SCHEMBL4236434 0.84 CCR5 (0.46) CCR5UBE2MDCUN1D1
SCHEMBL4240043 0.83 CCR5 (0.46) 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 11 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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
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 1/4885UBE2M 4562/4885DCUN1D1 3581/4885

“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.