SCHEMBL19599367

SCHEMBL19599367

CN1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
DRD3 P35462 6/20 0.52
HTR1D P28221 2/20 0.52
DRD1 P21728 4/20 0.49
DRD5 P21918 4/20 0.49
DRD4 P21917 3/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2D6 P10635 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30042062 0.85 DRD2 (0.55) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL19599368 0.84 DRD2 (0.47) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL506173 0.83 DRD2 (0.45) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL1820878 0.82 DRD2 (0.53) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL3113928 0.82 DRD2 (0.53) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL506250 0.82 DRD2 (0.47) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL2589591 0.79 DRD2 (0.50) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL20573750 0.79 S1PR5 (0.53) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL16518064 0.78 DRD2 (0.47) DRD2DRD3HTR1DDRD1DRD5
SCHEMBL11960176 0.77 DRD2 (0.48) DRD2DRD3HTR1DDRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 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 (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-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 DRD2 684/4885DRD3 665/4885HTR1D 213/4885

“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.