SCHEMBL4696480

SCHEMBL4696480

CN(C)CCOCc1nc2c(n1COCC[Si](C)(C)C)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
GABRA1 P14867 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
MAOA P21397 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 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
SCHEMBL4695790 0.94 MEN1 (0.32) CHRM2CHRM4HTR1AADRA2ACHRM1
SCHEMBL4696603 0.91 DRD2 (0.42) MLNRNR1I2ESR1CHRM2CHRM4
SCHEMBL4693882 0.86 LMNA (0.39) MLNRNR1I2ESR1CHRM2CHRM4
SCHEMBL4692914 0.85 ADRB2 (0.30)
SCHEMBL4696533 0.83 NPC1 (0.34) CHRM2CHRM4HTR1AADRA2ACHRM1
SCHEMBL4692952 0.82 KDM1A (0.38) BCHEMLNRNR1I2ESR1CHRM2
SCHEMBL5230836 0.82 CHRM2 (0.34) BCHEMLNRNR1I2ESR1CHRM2
SCHEMBL4695753 0.81 L3MBTL1 (0.40) BCHEKMT2AKDM1A
SCHEMBL4692174 0.80 CACNA1H (0.32) DRD2DRD3
SCHEMBL4695788 0.79 DRD3 (0.33) BCHEMLNRNR1I2ESR1CHRM2

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 2/4885MLNR 2784/4885NR1I2 2392/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B BCHE 699/4885MLNR 2133/4885NR1I2 2697/4885

“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.