SCHEMBL4696483

SCHEMBL4696483

CN(C)CCOC(COCC[Si](C)(C)C)c1nc2c([nH]1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
CHRM2 P08172 3/20 0.30
ADRA2A P08913 3/20 0.30
CHRM1 P11229 3/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
ADRA1A P35348 3/20 0.30
HRH1 P35367 3/20 0.30
OPRM1 P35372 3/20 0.30
DRD3 P35462 3/20 0.30
SLC6A3 Q01959 3/20 0.30
KCNH2 Q12809 3/20 0.30
MLNR O43193 2/20 0.30
NR1I2 O75469 2/20 0.30
CHRM4 P08173 2/20 0.30
HTR1A P08908 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
DRD2 P14416 2/20 0.30
ADRA2B P18089 2/20 0.30
CHRM3 P20309 2/20 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
SCHEMBL4695791 0.94
SCHEMBL4696606 0.92 LMNA (0.41) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL4693885 0.86 LMNA (0.40) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL4692912 0.86 LMNA (0.30) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL5230839 0.82 LMNA (0.32) CHRM2ADRA2ACHRM1SLC6A2SLC6A4
SCHEMBL4695751 0.81 SLC6A2 (0.33) BCHECHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4692954 0.81 BCHE (0.36) BCHECHRM2ADRA2ACHRM1SLC6A2
SCHEMBL5233167 0.80 CACNA1H (0.32)
SCHEMBL4695789 0.80 CHRM2 (0.34) BCHECHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4694431 0.80 MAPK1 (0.32) CHRM2SLC6A2SLC6A4HRH1SLC6A3

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
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP claimed
EP-1684749-B1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-05 EP claimed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US claimed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 US claimed
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP disclosed
EP-1684749-B1 USE OF 1,3-DIAZA-DIBENZO[e,h] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-05 EP disclosed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 US disclosed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US disclosed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 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 (2 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-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT BCHE 2/4885CHRM2 104/4885ADRA2A 103/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B BCHE 699/4885CHRM2 3659/4885ADRA2A 1222/4885

“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.