SCHEMBL4240759

SCHEMBL4240759

Fc1ccc(-c2ccc(C(F)(F)F)cc2)c(C2(C3CCNCC3)OC=CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
PLAT P00750 2/20 0.36
TDP2 O95551 1/20 0.35
P2RY14 Q15391 6/20 0.35
TMEM97 Q5BJF2 6/20 0.35
SIGMAR1 Q99720 5/20 0.35
DRD5 P21918 4/20 0.35
ADRB3 P13945 4/20 0.35
ADRA2B P18089 3/20 0.35
DRD1 P21728 3/20 0.35
ADRA1B P35368 3/20 0.35
SLC6A2 P23975 3/20 0.35
HTR1A P08908 2/20 0.35
AGTR1 P30556 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
SLC6A4 P31645 2/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL4244427 0.91 HTR2C (0.38) HTR2CPLATP2RY14TMEM97SIGMAR1
SCHEMBL4243013 0.85 OPRD1 (0.42) HTR2CPLATP2RY14TMEM97SIGMAR1
SCHEMBL4236456 0.83 GCGR (0.34) PTGS2CHRM2KDM1A
SCHEMBL4240422 0.83 CHRM2 (0.44) PLATHTR1ACHRM2HTR7KDM1A
SCHEMBL4247925 0.77 CCR5 (0.36) PTGS2KCNH2APP
SCHEMBL4240756 0.71 HTR2C (0.40) HTR2CSLC6A2OPRD1OPRK1SLC6A4
SCHEMBL4242886 0.69 CCR5 (0.36) PTGS2KCNH2
SCHEMBL4240748 0.69 HRH1 (0.35) CHRM2KDM1AHRH1
SCHEMBL4245341 0.66 HTR1A (0.45) HTR2CPLATHTR1AOPRD1HTR7
SCHEMBL4145135 0.66 SLC6A2 (0.51) HTR2CP2RY14TMEM97SLC6A2SLC6A3

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 HTR2C 2293/4885PLAT 3140/4885TDP2 4586/4885

“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.