SCHEMBL4694468

SCHEMBL4694468

CN(C)CCCOCc1nc2c(n1C)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.40
CYP1A2 P05177 5/20 0.40
KDM1A O60341 4/20 0.40
CYP2C19 P33261 4/20 0.40
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
SLC22A1 O15245 2/20 0.40
PRNP P04156 2/20 0.40
TP53 P04637 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CHRM3 P20309 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40

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
SCHEMBL4692952 0.93 KDM1A (0.38) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4694103 0.86 L3MBTL1 (0.39) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4695790 0.83 MEN1 (0.32) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4697388 0.82 CACNA1B (0.36) HTR1ADRD2CHRM2ADRA2ADRD1
SCHEMBL4693276 0.79 LMNA (0.35) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4695753 0.79 L3MBTL1 (0.40) KDM1AHTR6SIGMAR1ADRB2TSHR
SCHEMBL3882159 0.77 CYP2D6 (0.42) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4696480 0.76 BCHE (0.32) KDM1AHTR1ADRD2CHRM2CHRM4
SCHEMBL5245045 0.76 NPY5R (0.45) CYP2D6CYP1A2KDM1ACYP2C19HTR1A
SCHEMBL4693882 0.75 LMNA (0.39) CYP2D6CYP1A2KDM1ACYP2C19HTR1A

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 6 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
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 (1 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 CYP2D6 578/4885CYP1A2 611/4885KDM1A 1282/4885

“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.