SCHEMBL5229959

SCHEMBL5229959

CN(C)CCCOCc1cc2c(n1COCC[Si](C)(C)C)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CXCR1 P25024 1/20 0.32
MAOB P27338 2/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
DRD3 P35462 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A4 P31645 1/20 0.31
DRD2 P14416 1/20 0.31
LSS P48449 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5226966 0.95 NPC1 (0.32) CACNA1HCACNA1BMAOBBCHEMAOA
SCHEMBL5227480 0.92 MAPK1 (0.33) CACNA1HCACNA1BCXCR1MAOAACHE
SCHEMBL5226637 0.87 MAPK1 (0.34) CXCR1MAOAACHEDRD3CHRM2
SCHEMBL5227049 0.86 CYP1A2 (0.34) CXCR1BCHEMAOAACHENPC1
SCHEMBL4692174 0.82 CACNA1H (0.32) CACNA1HCACNA1BDRD3DRD2
SCHEMBL5229143 0.82 NPC1 (0.37) NPC1
SCHEMBL5230836 0.81 CHRM2 (0.34) BCHEMAOAACHENPC1DRD3
SCHEMBL6322406 0.80 CACNA1B (0.39) CACNA1HCACNA1BMAOBBCHEMAOA
SCHEMBL4692968 0.79 MAPK1 (0.32) CXCR1DRD3CHRM2HTR1AADRA2A
SCHEMBL4695749 0.77 MAPK1 (0.32) CXCR1DRD3CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US claimed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP claimed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US claimed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP disclosed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US disclosed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US 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-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT CACNA1H 416/4885CACNA1B 490/4885CXCR1 1246/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CACNA1H 1848/4885CACNA1B 1633/4885CXCR1 235/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CACNA1H 1825/4885CACNA1B 1625/4885CXCR1 249/4885

“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.