SCHEMBL269072

SCHEMBL269072

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
ANO1 Q5XXA6 6/20 0.38
CARM1 Q86X55 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
P2RX7 Q99572 2/20 0.36
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
MET P08581 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
SCHEMBL268078 0.92 ANO1 (0.38) ALOX5APFEN1ANO1CARM1SMN1; SMN2
SCHEMBL270520 0.92 ALOX5AP (0.40) ALOX5APFEN1ANO1CARM1SMN1; SMN2
Hydrochloric Acid SCHEMBL3989995 0.91 ALOX5AP (0.39) ALOX5APFEN1ANO1CARM1SMN1; SMN2
Hydrochloric Acid SCHEMBL269767 0.91 ALOX5AP (0.39) ALOX5APFEN1ANO1CARM1SMN1; SMN2
SCHEMBL268789 0.91 ANO1 (0.40) ALOX5APFEN1ANO1SMN1; SMN2P2RX7
SCHEMBL267905 0.91 ANO1 (0.42) ALOX5APFEN1ANO1SMN1; SMN2P2RX7
SCHEMBL270158 0.90 DPP4 (0.40) ALOX5APFEN1ANO1SMN1; SMN2
Hydrochloric Acid SCHEMBL269131 0.90 ANO1 (0.40) ALOX5APFEN1ANO1SMN1; SMN2P2RX7
SCHEMBL268007 0.90 SGMS2 (0.40) ALOX5APFEN1ANO1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL270560 0.89 DPP4 (0.39) ALOX5APFEN1ANO1SMN1; 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 ALOX5AP 3715/4885FEN1 3118/4885ANO1 3344/4885

“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.