SCHEMBL5229786

SCHEMBL5229786

C[Si](C)(C)CCOCn1c(C=O)cc2c1-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HRH4 Q9H3N8 6/20 0.34
DRD2 P14416 5/20 0.34
DRD4 P21917 5/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
ADRB2 P07550 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
HTR1A P08908 2/20 0.34
CHRM5 P08912 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
CHRM3 P20309 2/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
SLC6A2 P23975 2/20 0.34

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
SCHEMBL5227319 0.91 NPC1 (0.36) NPC1
SCHEMBL5225145 0.83 MAPK1 (0.37) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL4696998 0.83 MAPK1 (0.35) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL4696453 0.81 MAPK1 (0.35) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL5226637 0.79 MAPK1 (0.34) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL5230345 0.78 NPC1 (0.36) NPC1
SCHEMBL5227480 0.78 MAPK1 (0.33) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL4696667 0.76 MAPK1 (0.36) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL4485891 0.75 MAPK1 (0.35) MAPK1HRH4DRD2DRD4HRH2
SCHEMBL4695367 0.75 MAPK1 (0.39) MAPK1HRH4DRD2DRD4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 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-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 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 MAPK1 2673/4885HRH4 80/4885DRD2 47/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 207/4885HRH4 2372/4885DRD2 1760/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 223/4885HRH4 2498/4885DRD2 1785/4885

“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.