SCHEMBL3753926

SCHEMBL3753926

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.42
RBP4 P02753 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
CTSL P07711 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
PPARA Q07869 2/20 0.36
MMP1 P03956 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35

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 0.86 KDM4D (0.36) MMP13KMT2AAAK1GPR119JAK2
SCHEMBL3742665 0.86 KDM4D (0.36) MMP13KMT2AAAK1GPR119JAK2
SCHEMBL3751314 0.83 MMP13 (0.37) MMP13AAK1GPR119
SCHEMBL3961835 0.83 AAK1 (0.38) MMP13AAK1GPR119JAK2JAK1
SCHEMBL3751575 0.82 MMP13 (0.41) MMP13L3MBTL1KMT2AAAK1JAK2
SCHEMBL3745735 0.81 BCL2 (0.45)
SCHEMBL3736510 0.80 MGLL (0.39) MMP13AAK1GPR119MMP1JAK2
SCHEMBL3738226 0.80 MGLL (0.39) MMP13AAK1GPR119MMP1JAK2
SCHEMBL3743349 0.79 SMN1; SMN2 (0.42) L3MBTL1KMT2AAAK1CTSLPPARA
SCHEMBL3742008 0.79 CTSS (0.42) MMP13L3MBTL1KMT2AAAK1CTSL

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-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
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 MMP13 166/4885RBP4 108/4885L3MBTL1 3160/4885

“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.