SCHEMBL4240091

SCHEMBL4240091

CC(O)c1ccc(C2(C3CCN(C(C)CCN)CC3)Oc3ccccc3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.48
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
GRIN2B Q13224 6/20 0.30
ADRA2A P08913 5/20 0.30
HTR2A P28223 5/20 0.30
ADRA1A P35348 5/20 0.30
GRIN1 Q05586 4/20 0.30
HTR2B P41595 4/20 0.30
SIGMAR1 Q99720 3/20 0.30
GRIN2D O15399 2/20 0.30
HTR1A P08908 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2C Q14957 2/20 0.30
LMNA P02545 1/20 0.30
ADRB1 P08588 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL4239992 0.87 CCR5 (0.49) CCR5UBE2MDCUN1D1OPRK1
SCHEMBL4242471 0.87 CCR5 (0.51) CCR5UBE2MDCUN1D1HTR2BSIGMAR1
SCHEMBL4244519 0.85 CCR5 (0.51) CCR5UBE2MDCUN1D1
SCHEMBL4242947 0.85 CCR5 (0.46) CCR5UBE2MDCUN1D1SLC6A2SLC6A4
SCHEMBL4236434 0.85 CCR5 (0.46) CCR5UBE2MDCUN1D1
SCHEMBL4239108 0.84 CCR5 (0.62) CCR5UBE2MDCUN1D1SLC6A2SLC6A4
SCHEMBL4240614 0.84 CCR5 (0.46) CCR5HTR1ADRD2DRD3OPRK1
SCHEMBL4240043 0.84 CCR5 (0.46) CCR5
SCHEMBL4236292 0.83 CCR5 (0.47) CCR5UBE2MDCUN1D1TSHR
SCHEMBL4240442 0.82 CCR5 (0.44) CCR5UBE2MDCUN1D1

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 5 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 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.