SCHEMBL2106918

SCHEMBL2106918

c1ccc(CCNC2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.65
TAAR1 Q96RJ0 1/20 0.59
SIGMAR1 Q99720 3/20 0.53
GRIN1 Q05586 1/20 0.53
OPRL1 P41146 2/20 0.52
OPRM1 P35372 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.45

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
SCHEMBL662411 0.87 GRIN2B (0.76) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL3760581 0.83 TAAR1 (0.75) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL3907332 0.83 TAAR1 (0.81) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL24075499 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL22216853 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL3665298 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL24767088 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL25002632 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL21792273 0.81 TAAR1 (0.84) GRIN2BTAAR1SIGMAR1GRIN1OPRL1
SCHEMBL375264 0.81 GRIN2B (0.62) GRIN2BOPRL1OPRM1MEN1KMT2A

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 12 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
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
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 GRIN2B 4145/4885TAAR1 2241/4885SIGMAR1 2204/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB GRIN2B 2477/4885TAAR1 4634/4885SIGMAR1 4002/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB GRIN2B 2477/4885TAAR1 4634/4885SIGMAR1 4002/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB GRIN2B 2477/4885TAAR1 4634/4885SIGMAR1 4002/4885

“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.