SCHEMBL3884296

SCHEMBL3884296

CN(C)CCCOCc1cc2c(o1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAOB P27338 2/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
LSS P48449 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
CXCR1 P25024 1/20 0.33

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
SCHEMBL3881181 0.90 MAPK1 (0.39) CYP1A2CYP2D6MAOAACHEMAPK1
SCHEMBL3885397 0.83 MAPK1 (0.40) CYP1A2CYP2D6MAOAACHEMAPK1
SCHEMBL5182469 0.79 NR4A2 (0.35) CACNA1HCACNA1BMAOBLSSMAPK1
SCHEMBL4035884 0.78 CACNA1H (0.36) CACNA1HCACNA1BCYP1A2CYP2D6MAOB
Hydrochloric Acid SCHEMBL4038349 0.77 CACNA1H (0.35) CACNA1HCACNA1BCYP1A2CYP2D6MAOB
SCHEMBL4849242 0.76 CACNA1B (0.36) CACNA1HCACNA1BCYP1A2CYP2D6MAOB
SCHEMBL5227001 0.75 MAOB (0.36) CACNA1HCACNA1BCYP1A2CYP2D6MAOB
SCHEMBL3881168 0.74 MAPK1 (0.38) CACNA1BCYP1A2CYP2D6MAPK1CHRM2
SCHEMBL5181121 0.74 MAPK1 (0.39) MAPK1CHRM2HTR1AADRA2ADRD1
SCHEMBL6322406 0.74 CACNA1B (0.39) CACNA1HCACNA1BCYP1A2CYP2D6MAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684742-B1 USE OF 1-OXADIBENZO [E,H] AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed
US-20070173493-A1 1-Oxadibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US claimed
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
US-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
EP-1506204-A2 1-OXA-DIBENZOAZULENES AS INHIBITORS OF TUMOR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva - Istrazivacki Institut d.o.o. (HR) 2005-02-16 EP claimed
WO-2003097649-A2 1-OXA-DIBENZOAZULENES AS INHIBITORS OF TUMOR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-11-27 WO claimed
US-20070173493-A1 1-Oxadibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US disclosed
US-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 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 (3 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-20050148577-A1 1-oxa-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A CACNA1H 1889/4885CACNA1B 2114/4885CYP1A2 643/4885
US-20050209214-A1 1-oxa-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1B, IL1A CACNA1H 1897/4885CACNA1B 2137/4885CYP1A2 567/4885
US-20070173493-A1 1-Oxadibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, MAOB, BCHE CACNA1H 319/4885CACNA1B 611/4885CYP1A2 367/4885

“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.