SCHEMBL5228795

SCHEMBL5228795

Clc1ccc2c(c1)-c1[nH]ccc1-c1ccccc1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
DRD2 P14416 6/20 0.42
DRD4 P21917 6/20 0.42
HRH1 P35367 4/20 0.42
HRH2 P25021 3/20 0.42
CHRM2 P08172 3/20 0.42
HTR1A P08908 3/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
DRD1 P21728 3/20 0.42
SLC6A2 P23975 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 3/20 0.42
ADRA1A P35348 3/20 0.42
DRD3 P35462 3/20 0.42
HTR2B P41595 3/20 0.42
HTR3A P46098 3/20 0.42
HTR6 P50406 3/20 0.42

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
SCHEMBL5225284 0.82 KDM4E (0.45) MAPK1DRD2DRD4CYP1A2CYP2D6
SCHEMBL19537683 0.81 MAPK1 (0.57) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL4499503 0.77 MAPK1 (0.48) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL5227927 0.76 MAPK1 (0.47) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL5228301 0.74 MAPK1 (0.42) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL4846385 0.73 MAPK1 (0.50) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL19537649 0.73 MAPK1 (0.53) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL4697157 0.73 MAPK1 (0.47) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL11266316 0.73 MAPK1 (0.53) MAPK1DRD2DRD4HRH1HRH2
SCHEMBL12070616 0.71 MAPK1 (0.51) MAPK1DRD2DRD4HRH1HRH2

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-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-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-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 MAPK1 2673/4885DRD2 47/4885DRD4 73/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 207/4885DRD2 1760/4885DRD4 1621/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAPK1 223/4885DRD2 1785/4885DRD4 1645/4885

“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.