SCHEMBL3751575

SCHEMBL3751575

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2C(=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.41
AAK1 Q2M2I8 3/20 0.40
CYP17A1 P05093 3/20 0.39
GAA P10253 1/20 0.36
KDM4D Q6B0I6 3/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRS3 P32247 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3745735 0.88 BCL2 (0.45) GAABCL2
SCHEMBL3738589 0.88 ELOVL6 (0.50) MMP13AAK1GAAELOVL6KDM4E
SCHEMBL3738226 0.86 MGLL (0.39) MMP13AAK1JAK2JAK1
SCHEMBL3736510 0.86 MGLL (0.39) MMP13AAK1JAK2JAK1
SCHEMBL3747135 0.86 MMP13 (0.39) MMP13AAK1CYP17A1KDM4DKMT2A
SCHEMBL3744739 0.85 KDM1A (0.42) AAK1KDM4D
SCHEMBL3738694 0.84 PREP (0.38) MMP13AAK1BRS3JAK2JAK1
SCHEMBL3742829 0.84 ELOVL6 (0.46) MMP13AAK1GAAELOVL6KMT2A
SCHEMBL3738242 0.83 KMT2A (0.52) MMP13AAK1CYP17A1KMT2AL3MBTL1
SCHEMBL3753926 0.82 MMP13 (0.42) MMP13AAK1KMT2AL3MBTL1JAK2

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 MMP13 166/4885AAK1 1507/4885CYP17A1 1945/4885

“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.