SCHEMBL267747

SCHEMBL267747

COc1ccccc1CNC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
RCE1 Q9Y256 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MAPK8 P45983 2/20 0.48
POLB P06746 2/20 0.45
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 1/20 0.43
NPC1 O15118 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
Hydrochloric Acid SCHEMBL269080 0.99 HPGD (0.53) HPGDALDH1A1KDM4ELMNARCE1
SCHEMBL270246 0.88 HPGD (0.51) HPGDALDH1A1LMNAMAPK8POLB
SCHEMBL268363 0.86 LMNA (0.47) HPGDALDH1A1KDM4ELMNAMAPK8
SCHEMBL3987433 0.86 LMNA (0.47) HPGDALDH1A1KDM4ELMNAMAPK8
SCHEMBL268272 0.86 LMNA (0.48) HPGDALDH1A1LMNAMAPK8KMT2A
SCHEMBL268989 0.85 LMNA (0.45) ALDH1A1KDM4ELMNAMAPK8POLB
SCHEMBL268900 0.85 KMT2A (0.53) HPGDALDH1A1KDM4ELMNAPOLB
Hydrochloric Acid SCHEMBL270565 0.85 LMNA (0.47) HPGDALDH1A1LMNAMAPK8KMT2A
Hydrochloric Acid SCHEMBL270684 0.85 LMNA (0.44) ALDH1A1KDM4ELMNAMAPK8POLB
SCHEMBL269582 0.84 LMNA (0.43) LMNAMAPK8POLBKMT2ARAB9A

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 9 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
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
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
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US 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 HPGD 1844/4885ALDH1A1 557/4885KDM4E 2417/4885

“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.