SCHEMBL5773728

SCHEMBL5773728

CC(C)(C)OC(=O)N1CCN(c2nc3nc[nH]c(=O)c3n2Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.48
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
PRMT5 O14744 1/20 0.43
GRIA1 P42261 2/20 0.42
MAPT P10636 1/20 0.42
P2RX7 Q99572 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
KIT P10721 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL27604333 0.86 DPP4 (0.45) MEN1KMT2A
SCHEMBL2962148 0.80 ACHE (0.46) MEN1KMT2AACHECKS1BSKP1
SCHEMBL5719159 0.80 POLB (0.67) MEN1KMT2AMAPT
SCHEMBL2962803 0.78 ACHE (0.54) MEN1KMT2AACHECKS1BSKP1
SCHEMBL2964910 0.74 ACHE (0.43) ACHECKS1BSKP1SKP2OPRD1
SCHEMBL2964266 0.73 ACHE (0.43) MEN1KMT2AACHECKS1BSKP1
SCHEMBL13217753 0.73 KCNH2 (0.47) MEN1KMT2AACHECKS1BSKP1
SCHEMBL5719356 0.72 ALDH1A1 (0.55) MEN1KMT2AMAPT
SCHEMBL5719592 0.71 ALDH1A1 (0.76) MAPT
SCHEMBL13217695 0.71 KCNH2 (0.46) MEN1KMT2AACHECKS1BSKP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (4 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 MEN1 164/4885KMT2A 926/4885ACHE 3509/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 MEN1 1858/4885KMT2A 2689/4885ACHE 3109/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 MEN1 375/4885KMT2A 993/4885ACHE 832/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 MEN1 375/4885KMT2A 993/4885ACHE 832/4885

“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.