SCHEMBL269454

SCHEMBL269454

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.45
PNMT P11086 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RPS6KB1 P23443 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.37
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
CTSV O60911 3/20 0.37
CTSK P43235 2/20 0.37
CTSB P07858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL268660 0.89 ANO1 (0.44) ANO1SMN1; SMN2CTSLCTSSCTSV
SCHEMBL269828 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MAPTL3MBTL1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL269972 0.88 ANO1 (0.43) ANO1SMN1; SMN2CTSLCTSSCTSV
SCHEMBL3986990 0.88 ANO1 (0.45) ANO1SMN1; SMN2RPS6KB1KDM4ELMNA
SCHEMBL270827 0.88 ANO1 (0.45) ANO1SMN1; SMN2RPS6KB1KDM4ELMNA
Hydrochloric Acid SCHEMBL268993 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNAL3MBTL1ALDH1A1NPC1
SCHEMBL267817 0.87 CETP (0.44) ANO1SMN1; SMN2RPS6KB1POLBHPGD
SCHEMBL268754 0.86 ALOX5AP (0.39) ANO1SMN1; SMN2POLBDPP4
SCHEMBL269662 0.85 ANO1 (0.38) ANO1SMN1; SMN2HPGDSGMS2ALDH1A1
Hydrochloric Acid SCHEMBL270331 0.85 ANO1 (0.37) ANO1SMN1; SMN2HPGDSGMS2ALDH1A1

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 3 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

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 3344/4885PNMT 2677/4885SMN1; SMN2 4330/4885

“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.