SCHEMBL2099460

SCHEMBL2099460

COC(=O)c1ccc2c(c1)nc(N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)n2Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.48
BTK Q06187 2/20 0.47
MAP4K4 O95819 2/20 0.43
CYP2D6 P10635 2/20 0.43
HRH1 P35367 2/20 0.43
CHRM1 P11229 1/20 0.43
JAK3 P52333 1/20 0.42
PADI4 Q9UM07 1/20 0.42
GNRHR P30968 1/20 0.41
PDE10A Q9Y233 1/20 0.40
IDH1 O75874 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2098108 1.00 DPP4 (0.48) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL2097778 0.94 DPP4 (0.49) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL2097781 0.94 DPP4 (0.49) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL3149955 0.88 DPP4 (0.47) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL2098878 0.87 DPP4 (0.50) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL2098876 0.87 DPP4 (0.50) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL3145390 0.84 DPP4 (0.48) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL3150575 0.83 DPP4 (0.49) DPP4BTKMAP4K4CYP2D6HRH1
SCHEMBL2098253 0.83 MAPT (0.47) DPP4BTKMAP4K4JAK3PADI4
SCHEMBL29668368 0.78 DPP4 (0.53) DPP4BTKMAP4K4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163774-B2 Antidiabetic agents; 2-(amino-substituted piperidin-1-yl)benzimidazoles; N-(4-Chlorobenzyl)-2-(3-aminopiperidin-1-yl)-1-(4-fluorobenzyl)-1H-benzimidazole-6-carboxamide hydrochloride for example; use in combination with other antidiabetic, antilipemic agents SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20080090868-A1 AMIDE-SUBSTITUTED 8 N BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS (FR) 2008-04-17 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 (1 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-20080090868-A1 AMIDE-SUBSTITUTED 8 N BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS DPP8, GPR119, ABAT DPP4 10/4885BTK 1231/4885MAP4K4 1294/4885

“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.