SCHEMBL4240155

SCHEMBL4240155

CC(CC(N)=O)N1CCC(C2(c3ccccc3-c3ccc(C(F)(F)F)cc3)OC=CO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.41
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
ADAMTS7 Q9UKP4 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 3/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPY5R Q15761 1/20 0.34
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
MTTP P55157 3/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 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
SCHEMBL4242470 0.88 BRD4 (0.36) CCR5UBE2MDCUN1D1CHRM3NPY5R
SCHEMBL4239990 0.88 CCR5 (0.33) CCR5UBE2MDCUN1D1CHRM3CHRM2
SCHEMBL4244517 0.87 OPRM1 (0.34) OPRM1
SCHEMBL4242945 0.86 TNF (0.39) UBE2MDCUN1D1CHRM3NPY5R
SCHEMBL4239109 0.86 CCR5 (0.41) CCR5UBE2MDCUN1D1ADAMTS7CHRM3
SCHEMBL4240441 0.83 S1PR1 (0.32)
SCHEMBL4241415 0.81 CCR5 (0.55) CCR5
SCHEMBL4249227 0.79 CCR5 (0.60) CCR5
SCHEMBL4247099 0.79 CCR5 (0.70) CCR5
SCHEMBL4240153 0.79 CCR5 (0.62) CCR5UBE2MDCUN1D1OGA

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 1/4885UBE2M 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.