SCHEMBL4697390

SCHEMBL4697390

CC(OCCCN(C)C)c1nc2c([nH]1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TOP2A P11388 3/20 0.32
HTR1B P28222 1/20 0.32
MAOB P27338 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LSS P48449 1/20 0.30

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
SCHEMBL4693268 0.93 LMNA (0.35) ALDH1A1ACHEMAPK1HSD17B10KDM4E
SCHEMBL5229740 0.88 CACNA1H (0.35) CACNA1HCACNA1BALDH1A1PTPN1BCHE
SCHEMBL4694071 0.83 SIGMAR1 (0.33) CACNA1HCACNA1BLSS
SCHEMBL4694471 0.83 CYP1A2 (0.34) ALDH1A1BCHEACHETOP2AHTR1B
SCHEMBL5233167 0.82 CACNA1H (0.32) CACNA1HCACNA1B
SCHEMBL4695703 0.80 CACNA1H (0.34) CACNA1HCACNA1BALDH1A1PTPN1BCHE
SCHEMBL4695304 0.76 SLC6A2 (0.33) MAPK1KDM4ELMNATSHRHTT
SCHEMBL4692912 0.76 LMNA (0.30) MAPK1KDM4ELMNATSHRHTT
SCHEMBL4692954 0.76 BCHE (0.36) ALDH1A1BCHEACHEMAPK1KDM4E
SCHEMBL4696040 0.75 ADRB2 (0.34) ALDH1A1PTPN1BCHEACHEMAOB

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 CACNA1H 340/4885CACNA1B 494/4885ALDH1A1 181/4885

“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.