SCHEMBL4096970

SCHEMBL4096970

CNC(=O)c1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
PDK4 Q16654 1/20 0.53
USP30 Q70CQ3 1/20 0.48
GRM1 Q13255 9/20 0.48
GRM5 P41594 8/20 0.48
SCN9A Q15858 1/20 0.47
JAK1 P23458 1/20 0.46
SOS1 Q07889 1/20 0.46
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
HTR6 P50406 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL31706789 0.88 NAMPT (0.55) NAMPTPDK4USP30GRM1GRM5
SCHEMBL22324970 0.88 NAMPT (0.55) NAMPTPDK4USP30GRM1GRM5
SCHEMBL3169756 0.88 PDK4 (0.55) NAMPTPDK4USP30GRM1GRM5
SCHEMBL29924834 0.88 PDK4 (0.55) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL31747276 0.87 PDK4 (0.54) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL7831576 0.84 PDK4 (0.58) NAMPTPDK4GRM1GRM5SOS1
SCHEMBL1274660 0.83 PDK4 (0.51) NAMPTPDK4GRM1GRM5JAK1
SCHEMBL1364792 0.83 PDK4 (0.57) NAMPTPDK4GRM1GRM5SOS1
SCHEMBL29914645 0.83 PDK4 (0.57) NAMPTPDK4GRM1GRM5SOS1
SCHEMBL2811392 0.83 PDK4 (0.60) NAMPTPDK4USP30GRM1GRM5

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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R NAMPT 3849/4885PDK4 1915/4885USP30 2992/4885

“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.