SCHEMBL2956245

SCHEMBL2956245

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(Cl)n(CCc3ccccc3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
ACHE P22303 1/20 0.40
CHRM1 P11229 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAPT P10636 1/20 0.38
FAP Q12884 1/20 0.38
P2RX7 Q99572 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 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
SCHEMBL2954832 0.88 KCNH2 (0.40) DPP4MAPT
SCHEMBL2957112 0.87 DPP4 (0.43) DPP4
SCHEMBL2964042 0.86 DPP4 (0.37) DPP4
SCHEMBL2952903 0.85 DPP4 (0.47) DPP4ACHESLC2A1FAP
SCHEMBL2956321 0.84 KCNH2 (0.41) DPP4
SCHEMBL2959246 0.84 DPP4 (0.42) DPP4CHRM1FAP
SCHEMBL13200223 0.84 KCNH2 (0.37) DPP4
SCHEMBL2958819 0.84 DPP4 (0.54) DPP4FAP
SCHEMBL13200630 0.84 DPP4 (0.40) DPP4ACHECHRM1SLC2A1FAP
SCHEMBL2956661 0.83 DPP4 (0.42) DPP4CHRM1FAP

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 3509/4885CHRM1 19/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885ACHE 3109/4885CHRM1 4756/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885ACHE 832/4885CHRM1 43/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885ACHE 832/4885CHRM1 43/4885

“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.