SCHEMBL4245518

SCHEMBL4245518

CC(CCN)N1CCC(C2(c3ccccc3-c3ccc(OC(F)(F)F)cc3)OC=CO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
OPRK1 P41145 2/20 0.35
CHRM3 P20309 1/20 0.35
CCR5 P51681 3/20 0.34
MC4R P32245 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
OPRM1 P35372 2/20 0.33
GRM2 Q14416 2/20 0.32
SLC7A5 Q01650 2/20 0.31
CCR6 P51684 1/20 0.31
KCNH2 Q12809 1/20 0.31
PRCP P42785 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL4244329 0.89 KMT2A (0.36) UBE2MDCUN1D1KCNH2
SCHEMBL4239109 0.88 CCR5 (0.41) UBE2MDCUN1D1CHRM3CCR5MC4R
SCHEMBL4244926 0.85 UBE2M (0.33) UBE2MDCUN1D1CCR5
SCHEMBL4243373 0.85 SIGMAR1 (0.36) UBE2MDCUN1D1OPRK1CHRM3CCR5
SCHEMBL4236436 0.83
SCHEMBL4240052 0.83
SCHEMBL4236297 0.82 PTGS2 (0.36)
SCHEMBL4245517 0.79 CCR5 (0.49) UBE2MDCUN1D1CCR5OPRM1SLC7A5
SCHEMBL4241263 0.79 SYK (0.35) UBE2MDCUN1D1KCNH2
SCHEMBL4242886 0.77 CCR5 (0.36) UBE2MDCUN1D1CCR5KCNH2

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 UBE2M 4562/4885DCUN1D1 3581/4885OPRK1 158/4885

“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.