SCHEMBL3748312

SCHEMBL3748312

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2Cc1cc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AAK1 Q2M2I8 4/20 0.37
SCN9A Q15858 4/20 0.34
GPR119 Q8TDV5 4/20 0.34
RORC P51449 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
CACNA1B Q00975 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 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
SCHEMBL3747829 0.91 DPP4 (0.43) DPP4KMT2AL3MBTL1AAK1SCN9A
SCHEMBL8097461 0.84 DPP4 (0.41) DPP4KMT2AL3MBTL1AAK1SCN9A
SCHEMBL13045246 0.83 AAK1 (0.40) DPP4KMT2AL3MBTL1AAK1GPR119
SCHEMBL3741702 0.78 KMT2A (0.36) KMT2AL3MBTL1AAK1SCN9A
SCHEMBL3752853 0.76 ALDH1A1 (0.39) L3MBTL1AAK1RORC
SCHEMBL8079018 0.75 CHRM1 (0.54) AAK1GPR119
SCHEMBL13045269 0.74 HDAC4 (0.37) KMT2AL3MBTL1
SCHEMBL10026719 0.74 CHRM2 (0.38) KMT2AL3MBTL1AAK1
SCHEMBL894936 0.74 CHRM2 (0.38) KMT2AL3MBTL1AAK1
SCHEMBL3741700 0.73 AAK1 (0.40) DPP4KMT2AL3MBTL1AAK1DPP8

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 3 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
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 DPP4 1/4885KMT2A 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.