SCHEMBL2098253

SCHEMBL2098253

CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3n2Cc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
DPP4 P27487 5/20 0.47
PADI4 Q9UM07 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP4K4 O95819 2/20 0.42
BRD4 O60885 1/20 0.41
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAPK8 P45983 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
SCHEMBL2101388 0.89 MAPT (0.49) MAPTTHRBTP53SMN1; SMN2
SCHEMBL2098878 0.89 DPP4 (0.50) DPP4PADI4MAP4K4JAK3BTK
SCHEMBL2098876 0.89 DPP4 (0.50) DPP4PADI4MAP4K4JAK3BTK
SCHEMBL2097778 0.89 DPP4 (0.49) TP53DPP4PADI4MAP4K4JAK3
SCHEMBL2097781 0.89 DPP4 (0.49) TP53DPP4PADI4MAP4K4JAK3
SCHEMBL3150575 0.83 DPP4 (0.49) DPP4PADI4MAP4K4JAK3BTK
Hydrochloric Acid SCHEMBL2098557 0.83 MAPT (0.51) MAPTTHRBTP53DPP4SMN1; SMN2
Hydrochloric Acid SCHEMBL2098558 0.83 MAPT (0.51) MAPTTHRBTP53DPP4SMN1; SMN2
SCHEMBL3145390 0.83 DPP4 (0.48) DPP4PADI4MAP4K4JAK3BTK
SCHEMBL2099460 0.83 DPP4 (0.48) DPP4PADI4MAP4K4JAK3BTK

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 MAPT 4405/4885THRB 2262/4885TP53 4107/4885

“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.