SCHEMBL3742665

SCHEMBL3742665

CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.36
MGLL Q99685 1/20 0.36
HIF1A Q16665 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MMP13 P45452 2/20 0.35
AAK1 Q2M2I8 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BRS3 P32247 1/20 0.33

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
SCHEMBL3744763 1.00 KDM4D (0.36) KDM4DMGLLHIF1AGPR119MMP13
SCHEMBL3753926 0.86 MMP13 (0.42) GPR119MMP13AAK1JAK2JAK1
SCHEMBL3745735 0.83 BCL2 (0.45) CYP1A2CYP3A4ALDH1A1
SCHEMBL3751575 0.82 MMP13 (0.41) KDM4DMMP13AAK1JAK2JAK1
SCHEMBL3738694 0.82 PREP (0.38) MGLLGPR119MMP13AAK1JAK2
SCHEMBL3744310 0.78 CHRM2 (0.55) MMP13AAK1KMT2AMMP2
SCHEMBL3751314 0.78 MMP13 (0.37) GPR119MMP13AAK1CYP3A4
SCHEMBL3961835 0.78 AAK1 (0.38) GPR119MMP13AAK1CYP3A4JAK2
SCHEMBL3736510 0.78 MGLL (0.39) MGLLGPR119MMP13AAK1JAK2
SCHEMBL3738226 0.78 MGLL (0.39) MGLLGPR119MMP13AAK1JAK2

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 KDM4D 1387/4885MGLL 1847/4885HIF1A 3791/4885

“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.