SCHEMBL268576

SCHEMBL268576

O=C[C@@H](Cc1cc(F)ccc1F)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.45
DPP9 Q86TI2 9/20 0.45
DPP7 Q9UHL4 8/20 0.45
DPP8 Q6V1X1 2/20 0.45
SNCA P37840 1/20 0.36
KCNA5 P22460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL268577 1.00 DPP4 (0.45) DPP4DPP9DPP7DPP8SNCA
SCHEMBL269194 0.86 ALDH1A1 (0.46) KCNA5KDM4EALDH1A1TDP1
SCHEMBL269195 0.86 ALDH1A1 (0.46) KCNA5KDM4EALDH1A1TDP1
SCHEMBL475506 0.82 SLC1A1 (0.43) TDP1
SCHEMBL475507 0.82 SLC1A1 (0.43) TDP1
SCHEMBL14130060 0.80 TDP1 (0.36) KCNA5TDP1SIGMAR1
SCHEMBL475776 0.80 TDP1 (0.36) KCNA5TDP1SIGMAR1
SCHEMBL475774 0.80 TDP1 (0.36) KCNA5TDP1SIGMAR1
SCHEMBL475432 0.77 EPHX1 (0.44) ALDH1A1SIGMAR1
SCHEMBL475431 0.77 EPHX1 (0.44) ALDH1A1SIGMAR1

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 DPP4 1/4885DPP9 4/4885DPP7 3/4885

“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.