SCHEMBL3136103

SCHEMBL3136103

NC(=O)C1CCCN1C(=O)[CH]Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
HTR7 P34969 4/20 0.50
DPP4 P27487 3/20 0.50
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SCN9A Q15858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GRM2 Q14416 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
APOL1 O14791 1/20 0.40

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
SCHEMBL3138570 0.87 SPHK1 (0.50) HTR1AHTR7DPP4DPP8DPP9
SCHEMBL3140691 0.84 MAOB (0.39) HTR1AHTR7DPP4FAPDPP8
SCHEMBL3258336 0.84 MAOB (0.39) HTR1AHTR7DPP4FAPDPP8
SCHEMBL6163270 0.83 SPHK1 (0.47) HTR1AHTR7DPP4ALDH1A1SPHK2
SCHEMBL3140444 0.81 FPR2 (0.41) HTR1AHTR7DPP4FAPDPP8
SCHEMBL3145715 0.81 MAOB (0.37) HTR1AHTR7DPP4FAPDPP8
SCHEMBL7368940 0.81 CCR3 (0.38) HTR1AHTR7DPP4FAPDPP8
SCHEMBL3992162 0.79 ICMT (0.38) HTR1AHTR7SCN9ASPHK2SPHK1
SCHEMBL3254723 0.79 MAOB (0.35) HTR1AHTR7DPP4FAPDPP8
SCHEMBL3137156 0.79 GBA1 (0.37) HTR1AHTR7DPP4FAPDPP8

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 4 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-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 (2 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 HTR1A 4352/4885HTR7 4551/4885DPP4 226/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB HTR1A 4352/4885HTR7 4551/4885DPP4 226/4885

“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.