SCHEMBL5229963

SCHEMBL5229963

CN(C)CCCOC(COCC[Si](C)(C)C)c1cc2c([nH]1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
MAOB P27338 2/20 0.31
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL5226975 0.94 LMNA (0.31) CYP1A2CYP2D6
SCHEMBL5227482 0.92 MAPK1 (0.32)
SCHEMBL5226642 0.87 MAPK1 (0.33) CYP2D6
SCHEMBL5229605 0.86 MEN1 (0.32) CYP1A2CYP2D6
SCHEMBL5233167 0.82 CACNA1H (0.32) CACNA1HCACNA1B
SCHEMBL5230839 0.80 LMNA (0.32) MAOAACHECYP1A2CYP2D6
SCHEMBL6322408 0.80 CACNA1H (0.36) CACNA1HCACNA1BMAOBBCHEMAOA
SCHEMBL6267940 0.79
SCHEMBL4692972 0.79 MAPK1 (0.31)
SCHEMBL4695750 0.77 MAPK1 (0.31)

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
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
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 490/4885MAOB 6/4885
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 1633/4885MAOB 1744/4885
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 1625/4885MAOB 1805/4885

“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.