SCHEMBL2952903

SCHEMBL2952903

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(=O)n(CCc3ccccc3)c(=O)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.47
ACHE P22303 1/20 0.42
FAP Q12884 3/20 0.41
DPP9 Q86TI2 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2952546 0.86 DPP4 (0.45) DPP4FAPGAA
SCHEMBL2956245 0.85 DPP4 (0.45) DPP4ACHEFAPSLC2A1
SCHEMBL5718864 0.84 DPP4 (0.49) DPP4FAPDPP9
SCHEMBL5719063 0.83 DPP4 (0.37) DPP4ACHEDPP9
SCHEMBL5719693 0.81 LMNA (0.52) DPP4FAPDPP9ALDH1A1SMN1; SMN2
SCHEMBL5718830 0.79 DPP4 (0.40) DPP4ACHEGAASMN1; SMN2
SCHEMBL13217691 0.78 ACHE (0.49) ACHESLC2A1ALDH1A1GAASMN1; SMN2
SCHEMBL5718802 0.75 GAA (0.52) DPP4ALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL6384576 0.75 DPP4 (0.40) DPP4FAPDPP9
SCHEMBL2960778 0.75 DPP4 (0.51) DPP4ACHE

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 9 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-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 DPP4 4422/4885ACHE 3509/4885FAP 4873/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885ACHE 3109/4885FAP 484/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885ACHE 832/4885FAP 3205/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885ACHE 832/4885FAP 3205/4885

“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.