SCHEMBL5719583

SCHEMBL5719583

C=Cc1ccccc1-n1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(=O)n(COC(=O)C(C)(C)C)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
BACE1 P56817 3/20 0.38
NAMPT P43490 2/20 0.36
KIT P10721 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.33
SLC2A1 P11166 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
THRB P10828 1/20 0.33
PRMT5 O14744 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 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
SCHEMBL2957517 0.89 MAPT (0.43) ACHENAMPTKITMEN1KMT2A
SCHEMBL5719066 0.87 BACE1 (0.36) ACHEBACE1NAMPTCKS1BSKP1
SCHEMBL5719669 0.85 LMNA (0.37) BACE1LMNASMN1; SMN2GAAL3MBTL1
SCHEMBL5719452 0.82 LMNA (0.39) BACE1CKS1BSKP1SKP2TP53
SCHEMBL6414889 0.80 HSD17B10 (0.41) MEN1KMT2ALMNAHTTGAA
SCHEMBL5718924 0.80 BACE1 (0.41) ACHEBACE1NAMPTCKS1BSKP1
SCHEMBL5718804 0.79 DPP4 (0.37) ACHENAMPTKITMEN1KMT2A
SCHEMBL5719054 0.77 GAA (0.45) BACE1MEN1KMT2ATP53LMNA
SCHEMBL5775319 0.77 GAA (0.48) MEN1KMT2ATP53NPC1HTT
SCHEMBL5719063 0.77 DPP4 (0.37) ACHE

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-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP 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 (2 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 ACHE 1693/4885BACE1 564/4885NAMPT 1204/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ACHE 3109/4885BACE1 1573/4885NAMPT 459/4885

“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.