SCHEMBL2964266

SCHEMBL2964266

CC(C)(C)OC(=O)N1CCN(c2nc3cnn(COCc4ccccc4)c(=O)c3n2Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
TLR9 Q9NR96 3/20 0.42
TLR7 Q9NYK1 2/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SLC2A1 P11166 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL2960778 0.90 DPP4 (0.51) ACHETLR9TLR7CKS1BSKP1
SCHEMBL27604336 0.89 ALDH1A1 (0.45) LMNAMAPTKDM4EALDH1A1TSHR
SCHEMBL2961094 0.81 ACHE (0.45) ACHETLR9TLR7CKS1BSKP1
SCHEMBL2962148 0.80 ACHE (0.46) ACHETLR9TLR7SCDSCD5
SCHEMBL13217398 0.76 DPP4 (0.49)
SCHEMBL2962803 0.76 ACHE (0.54) ACHETLR9TLR7SCDSCD5
SCHEMBL5773728 0.73 MEN1 (0.50) ACHETLR9TLR7SCDSCD5
SCHEMBL13217544 0.73 KCNH2 (0.48) CKS1BSKP1SKP2LMNAHTT
Trifluoroacetic Acid SCHEMBL2952261 0.73 DPP4 (0.58)
SCHEMBL13200272 0.72 DPP4 (0.65)

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 13 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-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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ACHE 448/4885TLR9 3255/4885TLR7 3415/4885
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 ACHE 3509/4885TLR9 4535/4885TLR7 2838/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ACHE 3109/4885TLR9 912/4885TLR7 2634/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ACHE 832/4885TLR9 4356/4885TLR7 2961/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ACHE 832/4885TLR9 4356/4885TLR7 2961/4885

“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.