SCHEMBL5227480

SCHEMBL5227480

CN(C)CCCOCc1cc2c(n1COCC[Si](C)(C)C)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
CXCR1 P25024 2/20 0.32
HTR2A P28223 8/20 0.31
HTR2C P28335 8/20 0.31
DRD2 P14416 7/20 0.31
HRH1 P35367 7/20 0.31
ADRA2A P08913 6/20 0.31
DRD1 P21728 6/20 0.31
DRD3 P35462 6/20 0.31
ADRA2C P18825 5/20 0.31
DRD4 P21917 4/20 0.31
HTR7 P34969 4/20 0.31
CHRM2 P08172 4/20 0.31
HTR1A P08908 4/20 0.31
ADORA3 P0DMS8 4/20 0.31
CHRM1 P11229 4/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
ADRA1A P35348 4/20 0.31
OPRM1 P35372 4/20 0.31

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
SCHEMBL5226637 0.96 MAPK1 (0.34) MAPK1CXCR1HTR2AHTR2CDRD2
SCHEMBL5229959 0.92 CACNA1H (0.33) CXCR1DRD2ADRA2ADRD1DRD3
SCHEMBL5226966 0.87 NPC1 (0.32) HTR7ADRB2CACNA1HCACNA1BMAOA
SCHEMBL4695749 0.85 MAPK1 (0.32) MAPK1CXCR1ADRA2ADRD1DRD3
SCHEMBL5225145 0.84 MAPK1 (0.37) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4692968 0.84 MAPK1 (0.32) MAPK1CXCR1ADRA2ADRD1DRD3
SCHEMBL5227049 0.81 CYP1A2 (0.34) MAPK1CXCR1HTR2AHTR2CDRD2
SCHEMBL4694428 0.80 MAPK1 (0.33) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL3887203 0.80 MAPK1 (0.33) MAPK1CXCR1HTR2AHTR2CDRD2
SCHEMBL3883586 0.79 ADRA1A (0.32) MAPK1HRH1ADRA1AHRH3ADRA1B

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 6 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
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-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 2673/4885CXCR1 1246/4885HTR2A 152/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 207/4885CXCR1 235/4885HTR2A 4687/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 223/4885CXCR1 249/4885HTR2A 4707/4885

“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.