SCHEMBL2176823

SCHEMBL2176823

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
ADAM10 O14672 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
GRM1 Q13255 10/20 0.48
GRM5 P41594 10/20 0.48
PDK4 Q16654 1/20 0.47
CYP11B2 P19099 1/20 0.45
CDK7 P50613 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
BRD4 O60885 1/20 0.42
HTR6 P50406 1/20 0.42
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
JAK1 P23458 1/20 0.41

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
SCHEMBL2172026 0.85 NAMPT (0.53) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL13262740 0.85 NAMPT (0.52) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL19701849 0.84 NAMPT (0.52) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL2357533 0.82 NAMPT (0.57) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL19104448 0.82 NAMPT (0.57) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL4933714 0.81 PDK4 (0.61) NAMPTGRM1GRM5PDK4HTR6
SCHEMBL12523749 0.81 NAMPT (0.53) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL28672677 0.80 GRM1 (0.56) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL19103538 0.80 NAMPT (0.55) NAMPTGRM1GRM5PDK4CYP11B2
SCHEMBL8912847 0.80 NAMPT (0.63) NAMPTGRM1GRM5PDK4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US disclosed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 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 (4 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 NAMPT 421/4885ADAM10 25/4885MMP2 4/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 NAMPT 450/4885ADAM10 26/4885MMP2 2/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 NAMPT 114/4885ADAM10 25/4885MMP2 5/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 NAMPT 450/4885ADAM10 26/4885MMP2 2/4885

“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.