SCHEMBL13045261

SCHEMBL13045261

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CACNA1B Q00975 2/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR1A P37288 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL3751560 0.83 STS (0.48) CACNA1BKMT2ASTS
SCHEMBL8079018 0.76 CHRM1 (0.54)
SCHEMBL3748764 0.76 CTSL (0.50) KMT2ASMN1; SMN2HTTNPC1PPARA
SCHEMBL3744365 0.76 CTSL (0.50) KMT2ASMN1; SMN2HTTNPC1PPARA
SCHEMBL3742710 0.74 STS (0.51) STS
SCHEMBL894936 0.73 CHRM2 (0.38) GAAKMT2AL3MBTL1
SCHEMBL10026719 0.73 CHRM2 (0.38) GAAKMT2AL3MBTL1
SCHEMBL13045246 0.72 AAK1 (0.40) KMT2AL3MBTL1
SCHEMBL3806247 0.72 BTK (0.39) GAACACNA1BSMN1; SMN2
SCHEMBL21201991 0.71 AAK1 (0.47) KMT2A

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 GAA 147/4885CACNA1B 3223/4885ALDH1A1 634/4885

“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.