SCHEMBL4424319

SCHEMBL4424319

OCc1cn(-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 3/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 3/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7671977 0.84 LTA4H (0.46) CYP1A2CYP2C19RAB9AL3MBTL1NPC1
SCHEMBL27332681 0.83 PDE3B (0.40) CYP1A2LMNACYP2C19SMN1; SMN2MAOB
SCHEMBL4433834 0.82 CPB2 (0.50) RAB9AL3MBTL1NPC1MAPTPDE3B
SCHEMBL27331440 0.80 SMN1; SMN2 (0.48) CYP1A2CYP2C19RAB9ASMN1; SMN2MRGPRX4
SCHEMBL16976590 0.80 CYP1A2 (0.62) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL4422234 0.80 P4HTM (0.56) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL4427934 0.79 PDE3B (0.54) PTGS2RAB9AL3MBTL1NPC1MAOB
SCHEMBL4425521 0.78 P2RX7 (0.55) CYP1A2LMNACYP2C19RAB9ASMN1; SMN2
SCHEMBL4427005 0.74 PDE3B (0.44) CYP1A2CYP2C19L3MBTL1MAOBPDE3B
SCHEMBL6785484 0.74 PDE3B (0.44) CYP1A2LMNACYP2C19MAPTPKM

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 CYP1A2 4701/4885LMNA 4216/4885PTGS1 363/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CYP1A2 4578/4885LMNA 4581/4885PTGS1 991/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CYP1A2 4578/4885LMNA 4581/4885PTGS1 991/4885

“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.