SCHEMBL4429987

SCHEMBL4429987

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
GRIN1 Q05586 7/20 0.46
GRIN2B Q13224 7/20 0.46
NOTUM Q6P988 1/20 0.40
CPB1 P15086 2/20 0.40
CPB2 Q96IY4 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALKBH1 Q13686 1/20 0.37
GRM4 Q14833 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6785484 0.85 PDE3B (0.44) RXRAGRIN1GRIN2BNOTUMCPB1
SCHEMBL4423331 0.84 RXRA (0.46) RXRAGRIN1GRIN2BNOTUM
SCHEMBL4434666 0.82 NOTUM (0.46) NOTUM
SCHEMBL4425476 0.81 GRIN1 (0.49) RXRAGRIN1GRIN2B
SCHEMBL31434554 0.79 NOTUM (0.56) RXRAGRIN1GRIN2BNOTUMCPB1
Hydrochloric Acid SCHEMBL4426997 0.78 PDE4B (0.53) RXRAGRIN1GRIN2B
SCHEMBL4428259 0.78 KDM4E (0.46) ALKBH1GRM4KDM4E
SCHEMBL19211514 0.76 RXRA (0.68) RXRAGRIN1GRIN2BNOTUM
SCHEMBL4428915 0.76 NOTUM (0.56) NOTUMCPB1CPB2PDE3BPDE3A
SCHEMBL4425401 0.76 PDE3B (0.40) NOTUMCPB1CPB2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358165-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-11 EP 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.