SCHEMBL4696482

SCHEMBL4696482

CN(C)CCOCc1nc2c([nH]1)-c1ccccc1Sc1ccc(Cl)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
HTR1A P08908 4/20 0.48
DRD1 P21728 4/20 0.48
HRH1 P35367 4/20 0.48
DRD3 P35462 4/20 0.48
CHRM2 P08172 3/20 0.48
ADRA2A P08913 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
CHRM1 P11229 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1A P35348 3/20 0.48
OPRM1 P35372 3/20 0.48
MC3R P41968 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 3/20 0.48
MLNR O43193 2/20 0.48
NR1I2 O75469 2/20 0.48
PTGS1 P23219 2/20 0.48
CHRM4 P08173 2/20 0.48

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
SCHEMBL4693883 0.94 LMNA (0.45) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL5229980 0.90 LMNA (0.45) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4695663 0.90 CHRM2 (0.35) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4693296 0.83 CYP1A2 (0.35) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4693884 0.82 MAPK1 (0.40) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL5184457 0.78 HTR1A (0.48) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4706253 0.78 HTR1A (0.48) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4696606 0.78 LMNA (0.41) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4692136 0.77 MAPK1 (0.38) DRD2HTR1ADRD1HRH1DRD3
SCHEMBL4695368 0.77 MAPK1 (0.38) DRD2HTR1ADRD1HRH1DRD3

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-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 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 DRD2 57/4885HTR1A 78/4885DRD1 29/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B DRD2 1131/4885HTR1A 1478/4885DRD1 199/4885

“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.