SCHEMBL3140448

SCHEMBL3140448

N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.60
AKT1 P31749 4/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
AKT1S1 Q96B36 1/20 0.52
FAP Q12884 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HDAC8 Q9BY41 5/20 0.47

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
SCHEMBL5746194 0.87 HDAC8 (0.62) DPP4HRH2HRH1HDAC8
SCHEMBL5746200 0.87 HDAC8 (0.62) DPP4HRH2HRH1HDAC8
SCHEMBL3136106 0.87 DPP4 (0.64) DPP4AKT1AKT2AKT3AKT1S1
SCHEMBL18492870 0.87 DPP4 (0.64) DPP4AKT1AKT2AKT3AKT1S1
SCHEMBL7567649 0.85 HDAC8 (0.64) DPP4AKT1AKT2AKT3FAP
SCHEMBL6164614 0.85 HDAC8 (0.64) DPP4AKT1AKT2AKT3FAP
SCHEMBL7566120 0.85 HDAC8 (0.64) DPP4AKT1AKT2AKT3FAP
SCHEMBL18492863 0.85 DPP4 (0.62) DPP4AKT1AKT2AKT3AKT1S1
SCHEMBL2109124 0.84 DPP4 (0.53) DPP4AKT1AKT2AKT3AKT1S1
SCHEMBL2109126 0.84 DPP4 (0.53) DPP4AKT1AKT2AKT3AKT1S1

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
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB DPP4 226/4885AKT1 750/4885AKT2 722/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB DPP4 226/4885AKT1 750/4885AKT2 722/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB DPP4 226/4885AKT1 750/4885AKT2 722/4885

“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.