SCHEMBL270771

SCHEMBL270771

C[C@H](NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.42
FEN1 P39748 7/20 0.42
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
CCR1 P32246 1/20 0.35
ATM Q13315 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
SCHEMBL269582 0.90 LMNA (0.43) LMNANPC1MEN1RAB9AKMT2A
SCHEMBL268667 0.86 MAPK8 (0.47) LMNANPC1MEN1KMT2APOLB
SCHEMBL268989 0.86 LMNA (0.45) ALOX5APFEN1LMNANPC1MEN1
SCHEMBL270014 0.85 ANO1 (0.42) ALOX5APFEN1LMNANPC1MEN1
Hydrochloric Acid SCHEMBL270684 0.85 LMNA (0.44) ALOX5APFEN1LMNANPC1MEN1
SCHEMBL270127 0.85 LMNA (0.39) LMNANPC1MEN1RAB9AKMT2A
SCHEMBL268886 0.84 NPC1 (0.42) LMNANPC1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL269714 0.84 ANO1 (0.42) ALOX5APFEN1LMNANPC1MEN1
SCHEMBL268272 0.84 LMNA (0.48) LMNANPC1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL269813 0.83 NPC1 (0.41) LMNANPC1MEN1RAB9AKMT2A

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 ALOX5AP 3715/4885FEN1 3118/4885LMNA 4670/4885

“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.