SCHEMBL4423331

SCHEMBL4423331

OCc1cn(-c2cccc(OC(F)(F)F)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.46
GRIN1 Q05586 13/20 0.46
GRIN2B Q13224 13/20 0.46
KCNH2 Q12809 4/20 0.43
USP30 Q70CQ3 1/20 0.43
NOTUM Q6P988 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL17396936 0.85 USP30 (0.44) RXRAGRIN1GRIN2BKCNH2USP30
SCHEMBL4427005 0.85 PDE3B (0.44) RXRAGRIN1GRIN2BNOTUM
SCHEMBL4429987 0.84 RXRA (0.46) RXRAGRIN1GRIN2BNOTUM
SCHEMBL17411557 0.84 USP30 (0.44) RXRAGRIN1GRIN2BKCNH2USP30
SCHEMBL17396850 0.82 USP30 (0.44) RXRAGRIN1GRIN2BKCNH2USP30
SCHEMBL29351261 0.82 USP30 (0.44) RXRAGRIN1GRIN2BKCNH2USP30
SCHEMBL4434666 0.82 NOTUM (0.46) USP30NOTUM
SCHEMBL4427870 0.81 NOTUM (0.59) RXRAGRIN1GRIN2BKCNH2USP30
SCHEMBL23307890 0.80 RXRA (0.43) RXRAGRIN1GRIN2BKCNH2USP30
Trifluoroacetic Acid SCHEMBL17396797 0.80 USP30 (0.41) RXRAGRIN1GRIN2BKCNH2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101798298-B Imidazole derivatives HOFFMANN LA ROCHE 2013-01-09 CN disclosed
CN-101798298-A Imdazole derivatives HOFFMANN LA ROCHE 2010-08-11 CN disclosed
CN-1489580-B Imidazole derivatives HOFFMANN LA ROCHE 2010-05-26 CN disclosed
EP-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
CN-1489580-A Imidazole derivatives - 2004-04-14 CN disclosed
US-6683097-B2 AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO 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-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B RXRA 2410/4885GRIN1 1/4885GRIN2B 2/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A RXRA 2501/4885GRIN1 2/4885GRIN2B 1/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A RXRA 2501/4885GRIN1 2/4885GRIN2B 1/4885

“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.