SCHEMBL267905

SCHEMBL267905

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.42
P2RX7 Q99572 6/20 0.37
TRPV1 Q8NER1 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL267895 0.93 ANO1 (0.46) ANO1P2RX7ALOX5APFEN1POLB
Hydrochloric Acid SCHEMBL270358 0.92 ANO1 (0.45) ANO1P2RX7ALOX5APFEN1POLB
Hydrochloric Acid SCHEMBL270538 0.92 ANO1 (0.45) ANO1P2RX7ALOX5APFEN1POLB
SCHEMBL268078 0.91 ANO1 (0.38) ANO1P2RX7ALOX5APFEN1ALDH1A1
SCHEMBL269072 0.91 ALOX5AP (0.40) ANO1P2RX7ALOX5APFEN1SMN1; SMN2
SCHEMBL268950 0.90 POLB (0.45) ANO1P2RX7ALOX5APFEN1POLB
SCHEMBL269028 0.89 POLB (0.39) ANO1P2RX7ALOX5APFEN1POLB
SCHEMBL270520 0.89 ALOX5AP (0.40) ANO1ALOX5APFEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL269767 0.88 ALOX5AP (0.39) ANO1ALOX5APFEN1SMN1; SMN2
SCHEMBL268007 0.88 SGMS2 (0.40) ANO1ALOX5APFEN1ALDH1A1SMN1; SMN2

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 3344/4885P2RX7 602/4885TRPV1 1621/4885

“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.