SCHEMBL2106916

SCHEMBL2106916

CN(Cc1ccccc1)C1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
GRIN2B Q13224 1/20 0.54
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SLC18A3 Q16572 1/20 0.49
OPRM1 P35372 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PIK3CD O00329 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.44
LTA4H P09960 1/20 0.44
NAAA Q02083 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
SCHEMBL3375289 0.87 GRIN2B (0.61) GRIN2BHRH4HRH3SLC18A3OPRM1
SCHEMBL11251947 0.85 HRH3 (0.67) GRIN2BHRH4HRH3SLC18A3OPRM1
SCHEMBL16193406 0.84 HRH3 (0.53) NPC1RAB9AGRIN2BHRH4HRH3
SCHEMBL531089 0.83 HRH3 (0.70) GRIN2BHRH4HRH3SLC18A3ALDH1A1
Bromide SCHEMBL11253051 0.83 HRH3 (0.65) GRIN2BHRH4HRH3SLC18A3OPRM1
SCHEMBL7222494 0.83 HRH3 (0.51) NPC1RAB9AGRIN2BHRH4HRH3
SCHEMBL313877 0.83 HRH3 (0.51) NPC1RAB9AGRIN2BHRH4HRH3
SCHEMBL5179064 0.83 HRH3 (0.51) NPC1RAB9AGRIN2BHRH4HRH3
SCHEMBL7222245 0.83 HRH3 (0.51) NPC1RAB9AGRIN2BHRH4HRH3
SCHEMBL7216670 0.83 HRH3 (0.51) NPC1RAB9AGRIN2BHRH4HRH3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
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-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US 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-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed
EP-1247807-B1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND UBE INDUSTRIES (JP) 2004-04-28 EP disclosed
US-6653489-B2 Reacting 3-buten-1-ol with a formaldehyde compound and an organic sulfonic acid UBE INDUSTRIES, INC. (JP) 2003-11-25 US disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 EP 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 (4 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-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound HPD, DHPS, FDPS NPC1 4583/4885RAB9A 4840/4885GRIN2B 4145/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB NPC1 1659/4885RAB9A 4373/4885GRIN2B 2477/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885RAB9A 4373/4885GRIN2B 2477/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB NPC1 1659/4885RAB9A 4373/4885GRIN2B 2477/4885

“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.