SCHEMBL2965882

SCHEMBL2965882

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(C(=O)OC)n(C(=O)OCc3ccccc3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR9 Q9NR96 4/20 0.41
SLC2A1 P11166 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
ACHE P22303 1/20 0.39
HTT P42858 1/20 0.38
P2RX7 Q99572 1/20 0.38
DPP4 P27487 5/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 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
SCHEMBL2960778 0.79 DPP4 (0.51) MEN1KMT2ATLR9TLR7ACHE
SCHEMBL13199969 0.77 SIGMAR1 (0.43) MEN1KMT2AHTT
SCHEMBL2952903 0.74 DPP4 (0.47) SLC2A1ACHEDPP4
SCHEMBL2956245 0.74 DPP4 (0.45) SLC2A1ACHEP2RX7DPP4MAPT
SCHEMBL13200917 0.73 KDM4E (0.42) MEN1KMT2ASLC2A1ACHEMAPT
SCHEMBL2952455 0.73 DPP4 (0.43) DPP4
SCHEMBL13200916 0.73 ACHE (0.41) SLC2A1ACHE
SCHEMBL5718864 0.73 DPP4 (0.49) DPP4
SCHEMBL2956849 0.72 KCNH2 (0.41) MEN1KMT2ATLR9SLC2A1DPP4
SCHEMBL2954596 0.72 DPP4 (0.42) ACHEDPP4

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-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-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US 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 (3 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 926/4885TLR9 4535/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 MEN1 375/4885KMT2A 993/4885TLR9 4356/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 MEN1 375/4885KMT2A 993/4885TLR9 4356/4885

“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.