Sugi Predict

Sugi Predict / Compounds / SCHEMBL268891

SCHEMBL268891

SCHEMBL268891

CC(C)(NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1F)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ DPP4 P27487 8/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CHRM1 P11229 1/20 0.32

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
SCHEMBL270014 0.89 ANO1 (0.42) ANO1LMNADPP4NPC1MEN1
Hydrochloric Acid SCHEMBL269714 0.88 ANO1 (0.42) ANO1LMNADPP4NPC1MEN1
SCHEMBL270127 0.86 LMNA (0.39) ANO1LMNADPP4NPC1MEN1
SCHEMBL269747 0.85 CNR1 (0.41) ANO1LMNADPP4NPC1MEN1
Hydrochloric Acid SCHEMBL269660 0.84 CNR1 (0.40) ANO1LMNADPP4NPC1MEN1
SCHEMBL268929 0.84 CNR2 (0.41) LMNADPP4NPC1MEN1RAB9A
SCHEMBL268989 0.83 LMNA (0.45) LMNADPP4NPC1MEN1RAB9A
Hydrochloric Acid SCHEMBL268873 0.83 CNR2 (0.40) DPP4NPC1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL270684 0.83 LMNA (0.44) LMNADPP4NPC1MEN1RAB9A
SCHEMBL269638 0.82 DPP4 (0.44) LMNADPP4NPC1MEN1RAB9A

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 3344/4885LMNA 4670/4885DPP4 1/4885

“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.