Sugi Predict

Sugi Predict / Compounds / SCHEMBL270293

SCHEMBL270293

SCHEMBL270293

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL269117 0.87 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2SGMS2NPC1
SCHEMBL270276 0.86 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2SGMS2NPC1
Hydrochloric Acid SCHEMBL268093 0.85 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2SGMS2NPC1
SCHEMBL270014 0.85 ANO1 (0.42) SMN1; SMN2SGMS2NPC1RAB9AADORA2A
SCHEMBL267669 0.85 ANO1 (0.45) ALDH1A1SMN1; SMN2TP53NPSR1MEN1
Hydrochloric Acid SCHEMBL269714 0.84 ANO1 (0.42) SMN1; SMN2SGMS2NPC1RAB9AADORA2A
SCHEMBL270077 0.83 ANO1 (0.44) SMN1; SMN2SGMS2LMNA
SCHEMBL269344 0.83 ANO1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1TP53
SCHEMBL268378 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2RAB9AP2RX7MEN1
SCHEMBL268994 0.82 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2RAB9AP2RX7MEN1

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 ALDH1A1 557/4885KDM4E 2417/4885SMN1; 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.