SCHEMBL5227049

SCHEMBL5227049

CN(C)CCCOCc1cc2c(n1COCC[Si](C)(C)C)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.34
CYP2D6 P10635 7/20 0.34
DRD2 P14416 6/20 0.34
HTR1A P08908 5/20 0.34
CYP2C19 P33261 5/20 0.34
DRD3 P35462 5/20 0.34
CHRM2 P08172 4/20 0.34
ADRA2A P08913 4/20 0.34
CHRM1 P11229 4/20 0.34
DRD1 P21728 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
ADRA1A P35348 4/20 0.34
HRH1 P35367 4/20 0.34
OPRM1 P35372 4/20 0.34
KCNH2 Q12809 4/20 0.34
CHRM4 P08173 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
CHRM3 P20309 3/20 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
SCHEMBL5230836 0.95 CHRM2 (0.34) CYP1A2CYP2D6DRD2HTR1ACYP2C19
SCHEMBL5229676 0.89 NPC1 (0.34) NPC1
SCHEMBL5229959 0.86 CACNA1H (0.33) CYP1A2CYP2D6DRD2HTR1ADRD3
SCHEMBL4695790 0.83 MEN1 (0.32) CYP1A2CYP2D6DRD2HTR1ACYP2C19
SCHEMBL5225574 0.82 NPC1 (0.37) DRD2HTR1ADRD3CHRM2ADRA2A
SCHEMBL5226966 0.81 NPC1 (0.32) HTR7ADRB2NPC1MAOAACHE
SCHEMBL5227480 0.81 MAPK1 (0.33) CYP1A2CYP2D6DRD2HTR1ACYP2C19
SCHEMBL4693882 0.80 LMNA (0.39) CYP1A2CYP2D6DRD2HTR1ACYP2C19
SCHEMBL4696480 0.77 BCHE (0.32) DRD2HTR1ADRD3CHRM2ADRA2A
SCHEMBL3888878 0.76 CYP1A2 (0.32) CYP1A2CYP2D6DRD2HTR1ACYP2C19

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 9 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-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
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-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 CYP1A2 174/4885CYP2D6 259/4885DRD2 47/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP1A2 382/4885CYP2D6 411/4885DRD2 1760/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP1A2 427/4885CYP2D6 467/4885DRD2 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.