SCHEMBL4247925

SCHEMBL4247925

CC(CCN)N1CCC(C2(c3cc(F)ccc3-c3ccc(C(F)(F)F)cc3)OC=CO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.36
KCNH2 Q12809 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CCR2 P41597 1/20 0.34
DPP4 P27487 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.33
APP P05067 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 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
SCHEMBL4242886 0.93 CCR5 (0.36) CCR5KCNH2PTGS1PTGS2PSEN1
SCHEMBL4239109 0.88 CCR5 (0.41) CCR5UBE2MDCUN1D1
SCHEMBL4241263 0.88 SYK (0.35) KCNH2DPP4CYP3A4HSD11B1APP
SCHEMBL4245220 0.80 CCR5 (0.64) CCR5
SCHEMBL4247923 0.77 CCR5 (0.52) CCR5CCR2DPP4HSD11B1UBE2M
SCHEMBL4245518 0.77 UBE2M (0.37) CCR5KCNH2UBE2MDCUN1D1
SCHEMBL4240759 0.77 HTR2C (0.38) KCNH2PTGS2APP
SCHEMBL4244926 0.76 UBE2M (0.33) CCR5UBE2MDCUN1D1
SCHEMBL4243373 0.76 SIGMAR1 (0.36) CCR5UBE2MDCUN1D1
SCHEMBL4240155 0.75 CCR5 (0.41) CCR5KCNH2PTGS1PTGS2PSEN1

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 1/4885KCNH2 4679/4885PTGS1 1100/4885

“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.