SCHEMBL4848443

SCHEMBL4848443

CN(C)CCOCc1scc2c1-c1ccccc1Oc1ccc(Cl)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
DRD2 P14416 6/20 0.37
HRH1 P35367 5/20 0.37
ADRA2A P08913 4/20 0.37
DRD1 P21728 4/20 0.37
DRD3 P35462 4/20 0.37
ADRA2C P18825 3/20 0.37
DRD4 P21917 3/20 0.37
MLNR O43193 2/20 0.37
NR1I2 O75469 2/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
CHRM1 P11229 2/20 0.37
PTGS1 P23219 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA1A P35348 2/20 0.37

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
SCHEMBL4848841 0.96 MAPK1 (0.39) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4850979 0.94 MAPK1 (0.38) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4843776 0.89 ADRB2 (0.36) MAPK1HTR2AHTR2CHRH1ADRA2A
SCHEMBL4842087 0.84 MAPK1 (0.38) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4849242 0.82 CACNA1B (0.36) HRH1ADRA2ADRD1DRD3CHRM2
SCHEMBL4848134 0.80 MAPK1 (0.38) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4845574 0.78 MAPK1 (0.41) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL3885397 0.77 MAPK1 (0.40) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL4037112 0.77 HTR2A (0.38) MAPK1HTR2AHTR2CDRD2HRH1
SCHEMBL3882790 0.76 MAPK1 (0.37) MAPK1HTR2AHTR2CDRD2HRH1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435834-B2 2-thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-14 US claimed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP claimed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US claimed
EP-1684702-A2 USE OF 2-THIA-DIBENZO(E,H) AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP claimed
EP-1509530-B1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PILVA-ISTRAZIVACKI INSTITUT D.O.O. 2005-08-18 US claimed
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
WO-2005041856-A2 USE OF 2-THIA-DIBENZO[E, H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-12 WO claimed
EP-1509530-A1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-03-02 EP claimed
WO-2003084962-A1 2-THIA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 WO claimed
EP-1684702-B1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2007-09-19 EP disclosed
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-10-26 US disclosed
EP-1684702-A2 USE OF 2-THIA-DIBENZO(E,H) AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEAES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP disclosed
WO-2005041856-A2 USE OF 2-THIA-DIBENZO[E, H]AZULENES FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-12 WO 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-20050182126-A1 2-Thia-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 349/4885HTR2A 2913/4885HTR2C 3268/4885
US-20060241099-A1 USE OF 2-THIA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS DBH, MAOB, BCHE MAPK1 3036/4885HTR2A 24/4885HTR2C 48/4885
US-20050131056-A1 2- thia-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 369/4885HTR2A 3015/4885HTR2C 3388/4885

“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.