SCHEMBL13045249

SCHEMBL13045249

COOSc1ccc(N2C3CCC2CC([C@H](NC(=O)OC(C)(C)C)C(=O)OC)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.34
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
MMP1 P03956 1/20 0.31
SLC6A4 P31645 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CTSL P07711 1/20 0.30
CACNA1B Q00975 2/20 0.30

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
SCHEMBL3751310 0.82 GPR119 (0.42) AAK1GPR119SLC6A4
SCHEMBL3742666 0.73 AR (0.43) AAK1GPR119CTSL
SCHEMBL3747940 0.73 GPR119 (0.43) GPR119MMP1SLC6A4
SCHEMBL8079018 0.73 CHRM1 (0.54) AAK1GPR119
SCHEMBL3743376 0.71 KMT2A (0.38) AAK1KMT2AL3MBTL1CTSLCACNA1B
SCHEMBL13045267 0.71 RET (0.38) AAK1JAK2JAK1
SCHEMBL3742838 0.71 RET (0.45) AAK1GPR119JAK2JAK1
SCHEMBL10026719 0.71 CHRM2 (0.38) AAK1KMT2AL3MBTL1NFKB1NFKB2
SCHEMBL894936 0.71 CHRM2 (0.38) AAK1KMT2AL3MBTL1NFKB1NFKB2
SCHEMBL3744365 0.70 CTSL (0.50) KMT2AL3MBTL1CTSL

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 2 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 disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 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 (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 AAK1 1507/4885KMT2A 3499/4885L3MBTL1 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.