SCHEMBL269653

SCHEMBL269653

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
PRKCI P41743 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR2 P34972 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CNR1 P21554 1/20 0.36
DHODH Q02127 1/20 0.36
CAPN1 P07384 1/20 0.35

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
SCHEMBL270168 0.91 SMN1; SMN2 (0.39) ANO1SMN1; SMN2PRKCIALOX5APFEN1
SCHEMBL269828 0.90 SMN1; SMN2 (0.40) SMN1; SMN2KMT2APRKCICNR2CNR1
SCHEMBL270827 0.89 ANO1 (0.45) ANO1SMN1; SMN2KMT2AALOX5APFEN1
SCHEMBL268754 0.89 ALOX5AP (0.39) ANO1SMN1; SMN2KMT2AALOX5APFEN1
SCHEMBL3986990 0.89 ANO1 (0.45) ANO1SMN1; SMN2KMT2AALOX5APFEN1
Hydrochloric Acid SCHEMBL268993 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KMT2APRKCICNR2CNR1
SCHEMBL270520 0.86 ALOX5AP (0.40) ANO1SMN1; SMN2ALOX5APFEN1
SCHEMBL268078 0.86 ANO1 (0.38) ANO1SMN1; SMN2ALOX5APFEN1
SCHEMBL269072 0.86 ALOX5AP (0.40) ANO1SMN1; SMN2ALOX5APFEN1
SCHEMBL268387 0.85 SMN1; SMN2 (0.40) ANO1SMN1; SMN2KMT2AALOX5APFEN1

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 3344/4885SMN1; SMN2 4330/4885KMT2A 3516/4885

“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.