SCHEMBL4425401

SCHEMBL4425401

OCc1cn(-c2cccc(I)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GRM5 P41594 2/20 0.37
GRM1 Q13255 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
NOTUM Q6P988 6/20 0.36
CPB1 P15086 2/20 0.36
CPB2 Q96IY4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL11047728 0.81 PDE3B (0.40) PDE3BPDE3ANOTUMCPB1CPB2
SCHEMBL4428915 0.81 NOTUM (0.56) PDE3BPDE3AMGLLNOTUMCPB1
SCHEMBL4424390 0.81 PDE3B (0.43) PDE3BPDE3AGRM5GRM1MGLL
SCHEMBL31434554 0.81 NOTUM (0.56) PDE3BPDE3AFAAHMGLLNOTUM
SCHEMBL1698763 0.80 PDE3B (0.50) PDE3BPDE3AGRM5GRM1NOTUM
SCHEMBL4433834 0.80 CPB2 (0.50) PDE3BPDE3ANOTUMCPB1CPB2
SCHEMBL4434666 0.79 NOTUM (0.46) NOTUM
SCHEMBL4433926 0.79 MGLL (0.42) PDE3BPDE3AMGLLNOTUMCPB1
SCHEMBL3778638 0.79 FAAH (0.40) GRM5FAAHMGLLKDM2BPHF8
SCHEMBL4427870 0.78 NOTUM (0.59) NOTUM

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 PDE3B 2740/4885PDE3A 2511/4885GRM5 17/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A PDE3B 1701/4885PDE3A 1485/4885GRM5 36/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A PDE3B 1701/4885PDE3A 1485/4885GRM5 36/4885

“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.