SCHEMBL3965373

SCHEMBL3965373

CC(C)(C)OC(=O)N1CCCC(CCCOS(C)(=O)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.50
SCN9A Q15858 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GLS O94925 2/20 0.45
BACE1 P56817 2/20 0.43
CTSD P07339 1/20 0.43
CYP2C9 P11712 1/20 0.42
ACKR3 P25106 1/20 0.41
BCHE P06276 1/20 0.41
HTR6 P50406 1/20 0.41
HPGD P15428 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
SCHEMBL30759051 0.96 GPR119 (0.51) GPR119SCN9AMEN1ALDH1A1MAPT
SCHEMBL1710891 0.93 MEN1 (0.47) GPR119SCN9AMEN1ALDH1A1MAPT
SCHEMBL30922520 0.93 MEN1 (0.47) GPR119SCN9AMEN1ALDH1A1MAPT
SCHEMBL29133314 0.93 GPR119 (0.57) GPR119SCN9A
SCHEMBL1295880 0.86 GPR119 (0.64) GPR119SCN9A
SCHEMBL7395646 0.85 GPR119 (0.51) GPR119SCN9A
SCHEMBL5232682 0.85 MEN1 (0.49) GPR119SCN9AMEN1ALDH1A1MAPT
SCHEMBL345454 0.85 GPR119 (0.51) GPR119SCN9A
SCHEMBL3124615 0.85 GPR119 (0.51) GPR119SCN9A
SCHEMBL1785144 0.85 SCN9A (0.53) GPR119SCN9AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed
EP-1989200-A2 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2008-11-12 EP disclosed
WO-2007092095-A2 [4-(BENZO [B] THI0PHEN-2-YL) PYRIMIDIN-2YL] -AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES. ELI LILLY AND COMPANY (US) 2007-08-16 WO 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG GPR119 1705/4885SCN9A 2565/4885MEN1 3407/4885

“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.