SCHEMBL4086562

SCHEMBL4086562

NC(=O)OCCCOC1CCN(C(=O)[CH]Cc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.45
BCHE P06276 4/20 0.40
ADRB2 P07550 1/20 0.36
NAMPT P43490 1/20 0.35
F10 P00742 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PARP10 Q53GL7 1/20 0.33
FKBP1A P62942 1/20 0.33
KMT2A Q03164 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 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
SCHEMBL3135799 0.94 LSS (0.41) LSSBCHEADRB2F10CARM1
SCHEMBL3140366 0.87 LSS (0.46) LSSBCHECARM1PRMT6KMT2A
SCHEMBL4086461 0.84 ADRB2 (0.41) ADRB2F10PARP10KMT2AF2
SCHEMBL3133481 0.79 ADRB2 (0.39) ADRB2F10F2PRSS1
SCHEMBL6163787 0.77 SMN1; SMN2 (0.45) BCHEF2PRSS1
SCHEMBL28757734 0.76 CACNA1B (0.50) KMT2A
SCHEMBL3140933 0.75 POLB (0.41)
SCHEMBL3145712 0.74 SIGMAR1 (0.44) KMT2A
SCHEMBL3131545 0.72 CCR5 (0.41) KMT2A
SCHEMBL4096230 0.72 TPSAB1 (0.43) KMT2AF2PRSS1

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 LSS 1815/4885BCHE 731/4885ADRB2 2638/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB LSS 1815/4885BCHE 731/4885ADRB2 2638/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB LSS 1815/4885BCHE 731/4885ADRB2 2638/4885

“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.