SCHEMBL17532276

SCHEMBL17532276

CCC[C@H]1CC[C@H](C2CCC(OS(=O)(=O)C(F)(F)F)=C(C)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.35
DRD3 P35462 6/20 0.35
HTR1D P28221 3/20 0.35
TLR4 O00206 2/20 0.34
DRD4 P21917 3/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL17459541 1.00 DRD2 (0.35) DRD2DRD3HTR1DTLR4DRD4
SCHEMBL27111872 0.84 DRD2 (0.31) DRD2DRD3HTR1D
SCHEMBL10014981 0.78 DRD2 (0.40) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL19695843 0.76 TLR4 (0.34) TLR4
SCHEMBL17492906 0.76 TLR4 (0.36) TLR4
SCHEMBL17459535 0.76 TLR4 (0.36) TLR4
SCHEMBL15635112 0.74 LMNA (0.34) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL3735441 0.73 ALDH1A1 (0.38) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL7384939 0.66 DRD2 (0.31) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL2754407 0.66 DRD2 (0.31) DRD2DRD3HTR1DDRD4DRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US 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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R DRD2 775/4885DRD3 736/4885HTR1D 158/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R DRD2 775/4885DRD3 736/4885HTR1D 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.