SCHEMBL4243013

SCHEMBL4243013

FC(F)(F)c1ccc(-c2ccccc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2C P28335 4/20 0.40
ADAMTS7 Q9UKP4 1/20 0.37
P2RY14 Q15391 5/20 0.37
PLAT P00750 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DRD5 P21918 4/20 0.34
TMEM97 Q5BJF2 4/20 0.34
ADRB3 P13945 3/20 0.34
ADRA2B P18089 3/20 0.34
DRD1 P21728 3/20 0.34
SLC6A2 P23975 3/20 0.34
ADRA1B P35368 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
HTR1A P08908 2/20 0.34
AGTR1 P30556 2/20 0.34

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
SCHEMBL4240759 0.85 HTR2C (0.38) OPRD1OPRK1KCNH2HTR2CP2RY14
SCHEMBL4244427 0.85 HTR2C (0.38) OPRD1OPRK1KCNH2HTR2CP2RY14
SCHEMBL4240121 0.85 KDM1A (0.38) HTR2CPLATKDM1AMAOB
SCHEMBL4238694 0.84 CHRM1 (0.39) CHRM2
SCHEMBL4240748 0.84 HRH1 (0.35) CHRM2KDM1A
SCHEMBL4245341 0.81 HTR1A (0.45) OPRD1KCNH2HTR2CPLATHTR1A
SCHEMBL4239109 0.75 CCR5 (0.41) ADAMTS7CHRM2CHRM5DRD2
SCHEMBL4240155 0.73 CCR5 (0.41) KCNH2ADAMTS7DRD1SLC6A2DRD3
SCHEMBL4243005 0.70 HTR2C (0.45) OPRD1OPRK1KCNH2HTR2CSLC6A2
SCHEMBL11606211 0.68 HTR2C (0.45) OPRD1OPRK1KCNH2HTR2CP2RY14

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 OPRD1 245/4885OPRK1 158/4885KCNH2 4679/4885

“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.