SCHEMBL5718924

SCHEMBL5718924

CC(C)(C)OC(=O)N1CCN(c2nc3c(c(=O)n(COC(=O)C(C)(C)C)c(=O)n3COC(=O)C(C)(C)C)n2-c2ccccc2C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
ACHE P22303 1/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAOB P27338 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
DTYMK P23919 1/20 0.33
LMNA P02545 2/20 0.33
NAMPT P43490 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 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
SCHEMBL5719066 0.93 BACE1 (0.36) BACE1CKS1BSKP1SKP2OPRM1
SCHEMBL2959131 0.89 CNR1 (0.41) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL5719669 0.87 LMNA (0.37) BACE1MAOBLMNAMAPTSMN1; SMN2
SCHEMBL5719452 0.86 LMNA (0.39) BACE1CKS1BSKP1SKP2TP53
SCHEMBL2952792 0.83 L3MBTL1 (0.42) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5718918 0.83 CNR1 (0.38) ACHETP53THRBADORA3MAOB
SCHEMBL5718982 0.82 HTR2A (0.42) BACE1CKS1BSKP1SKP2MAOB
SCHEMBL6409570 0.80 MAOB (0.38) ADORA3MAOBLMNAMAPTSMN1; SMN2
SCHEMBL5719583 0.80 ACHE (0.38) BACE1CKS1BSKP1SKP2OPRM1
SCHEMBL5719268 0.79 DPP4 (0.44) LMNASMN1; SMN2MEN1KMT2A

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 BACE1 564/4885CKS1B 2265/4885SKP1 3093/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 BACE1 1573/4885CKS1B 3049/4885SKP1 4447/4885

“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.