SCHEMBL3911664

SCHEMBL3911664

CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](Cn2cncn2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
BTK Q06187 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
JAK1 P23458 2/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
PIK3CD O00329 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL1154909 0.77 DRD2 (0.46) RORCKMT2AL3MBTL1BTKMAOB
SCHEMBL3911519 0.77 DRD2 (0.46) RORCKMT2AL3MBTL1BTKMAOB
SCHEMBL3897829 0.77 DRD2 (0.46) RORCKMT2AL3MBTL1BTKMAOB
SCHEMBL3898117 0.77 DRD2 (0.46) RORCKMT2AL3MBTL1BTKMAOB
SCHEMBL31454797 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL3906310 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL31454839 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL5016759 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL4998586 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL13628664 0.76 NFKB1 (0.51) NFKB1NFKB2RELAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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 (3 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 NFKB1 3056/4885NFKB2 3524/4885RELA 4598/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NFKB1 3086/4885NFKB2 3541/4885RELA 4571/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NFKB1 3086/4885NFKB2 3541/4885RELA 4571/4885

“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.