SCHEMBL4692952

SCHEMBL4692952

CN(C)CCOCc1nc2c(n1C)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
BCHE P06276 1/20 0.38
CYP2D6 P10635 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
CHRM2 P08172 3/20 0.36
HTR1A P08908 3/20 0.36
ADRA2A P08913 3/20 0.36
CHRM1 P11229 3/20 0.36
DRD2 P14416 3/20 0.36
DRD1 P21728 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
ADRA1A P35348 3/20 0.36
HRH1 P35367 3/20 0.36
OPRM1 P35372 3/20 0.36
DRD3 P35462 3/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM4 P08173 2/20 0.36
ADRA2B P18089 2/20 0.36

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
SCHEMBL4694468 0.93 CYP2D6 (0.40) KDM1ABCHECYP2D6CYP1A2CYP2C19
SCHEMBL4695753 0.85 L3MBTL1 (0.40) KDM1ABCHEADRB2HTR6TSHR
SCHEMBL4696480 0.82 BCHE (0.32) KDM1ABCHECHRM2HTR1AADRA2A
SCHEMBL4693266 0.81 ADRB2 (0.34) BCHECHRM2HTR1AADRA2ADRD1
SCHEMBL4694103 0.79 L3MBTL1 (0.39) KDM1ACYP2D6CYP1A2CYP2C19CHRM2
SCHEMBL4695790 0.76 MEN1 (0.32) KDM1ACYP2D6CYP1A2CYP2C19CHRM2
SCHEMBL4695746 0.75 NPY5R (0.39) CYP2D6CYP1A2CYP2C19CHRM2HTR1A
SCHEMBL5245238 0.75 NPY5R (0.47) KDM1ABCHECYP2D6CYP1A2CYP2C19
SCHEMBL3883013 0.75 HTR1A (0.40) KDM1ABCHECYP2D6CYP1A2CYP2C19
SCHEMBL4697388 0.74 CACNA1B (0.36) CHRM2HTR1AADRA2ADRD2DRD1

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 7 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-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-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

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 KDM1A 1282/4885BCHE 2/4885CYP2D6 578/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B KDM1A 863/4885BCHE 699/4885CYP2D6 359/4885

“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.