SCHEMBL4694103

SCHEMBL4694103

CN(C)CCCOCc1nc2c(n1CCc1ccccc1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 3/20 0.35
CYP1A2 P05177 2/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD1 P21728 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC22A1 O15245 1/20 0.35
KDM1A O60341 1/20 0.35
PRNP P04156 1/20 0.35
TP53 P04637 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL4695753 0.94 L3MBTL1 (0.40) L3MBTL1SIGMAR1KDM1AADRB2TSHR
SCHEMBL4693276 0.92 LMNA (0.35) L3MBTL1SIGMAR1CYP1A2CHRM2HTR1A
SCHEMBL4694468 0.86 CYP2D6 (0.40) SIGMAR1CYP1A2CHRM2HTR1AADRA2A
SCHEMBL4694068 0.85 L3MBTL1 (0.39) L3MBTL1SIGMAR1CYP1A2CHRM2HTR1A
SCHEMBL4695790 0.82 MEN1 (0.32) SIGMAR1CYP1A2CHRM2HTR1AADRA2A
SCHEMBL4692952 0.79 KDM1A (0.38) SIGMAR1CYP1A2CHRM2HTR1AADRA2A
SCHEMBL4695303 0.78 L3MBTL1 (0.40) L3MBTL1SIGMAR1ADRB2TSHRHTR6
SCHEMBL3882868 0.77 CYP1A2 (0.36) SIGMAR1CYP1A2CHRM2HTR1AADRA2A
SCHEMBL4693840 0.77 POLB (0.54) L3MBTL1TP53MEN1KMT2ALMNA
SCHEMBL4695727 0.76 POLB (0.42) L3MBTL1TSHRMEN1KMT2ALMNA

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 L3MBTL1 1797/4885SIGMAR1 510/4885CYP1A2 611/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B L3MBTL1 1572/4885SIGMAR1 2535/4885CYP1A2 636/4885

“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.