SCHEMBL4081806

SCHEMBL4081806

NC(=O)C1CC(NC(=O)[CH]Cc2ccccc2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
POLB P06746 1/20 0.33
MFN2 O95140 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
SCHEMBL2687705 0.74 EPHX2 (0.62) TSHREPHX2ALDH1A1EPHX1SMN1; SMN2
SCHEMBL19712313 0.72 EPHX2 (0.40) TSHREPHX2ALDH1A1EPHX1SMN1; SMN2
SCHEMBL19712342 0.71 HSD17B10 (0.44) TSHREPHX2ALDH1A1EPHX1SMN1; SMN2
SCHEMBL19712315 0.70 EPHX2 (0.38) TSHREPHX2EPHX1SMN1; SMN2NPC1
SCHEMBL15229179 0.69 GRIN2B (0.45) EPHX1NPC1RAB9AHPGD
SCHEMBL631367 0.68 EPHX2 (0.34) EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL4069721 0.67 CCR1 (0.37) ALDH1A1SIRT1
SCHEMBL3345536 0.66 HTT (0.41) ALDH1A1NPC1RAB9AHPGD
SCHEMBL6164736 0.66 ALPL (0.34) TSHREPHX2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6166781 0.66 GAA (0.48) TSHRPOLB

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
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 TSHR 3938/4885EPHX2 1324/4885ALDH1A1 720/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TSHR 3938/4885EPHX2 1324/4885ALDH1A1 720/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB TSHR 3938/4885EPHX2 1324/4885ALDH1A1 720/4885

“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.