SCHEMBL269161

SCHEMBL269161

CC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1C[C@H](O)[C@H](N)Cc1cc(Cl)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.40
DDR1 Q08345 3/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
ACKR3 P25106 1/20 0.35
P2RX7 Q99572 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
PDE4B Q07343 2/20 0.34
PDE11A Q9HCR9 2/20 0.34
KLKB1 P03952 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
Hydrochloric Acid SCHEMBL270205 0.99 ANO1 (0.40) ANO1DDR1POLBAPEX1ACKR3
SCHEMBL267506 0.92 DPP4 (0.38) ACKR3DPP4DPP9ALOX5APFEN1
SCHEMBL269639 0.92 DPP4 (0.38) ACKR3DPP4DPP9ALOX5APFEN1
Hydrochloric Acid SCHEMBL268733 0.91 DPP4 (0.37) DPP4DPP9ALOX5APFEN1
SCHEMBL270299 0.90 DPP4 (0.39) POLBAPEX1DPP4DPP9ALOX5AP
SCHEMBL269056 0.89 DPP4 (0.35) DDR1DPP4DPP9ALOX5APFEN1
SCHEMBL269134 0.88 LMNA (0.41) ANO1ACKR3P2RX7DPP4PDE4B
Fumaric Acid SCHEMBL267835 0.87 DPP4 (0.35) ACKR3DPP4DPP9PDE4BPDE11A
Fumaric Acid SCHEMBL267834 0.87 DPP4 (0.35) ACKR3DPP4DPP9PDE4BPDE11A
SCHEMBL14769533 0.84 DPP4 (0.39) ANO1POLBAPEX1DPP4DPP9

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
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ANO1 3344/4885DDR1 2729/4885POLB 3975/4885

“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.