SCHEMBL6628639

SCHEMBL6628639

C=CCc1c(OCc2ccccc2)ccc2c1O[C@@H](CO)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 2/20 0.33
MMP9 P14780 1/20 0.33
MAOA P21397 1/20 0.33
NR3C1 P04150 1/20 0.33
CFD P00746 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
KDM1A O60341 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL6628867 1.00 DRD2 (0.34) DRD2DRD4DRD3FFAR1POLB
SCHEMBL6676539 0.80 LMNA (0.38) FFAR1POLBHPGD
SCHEMBL6674662 0.80 LMNA (0.38) FFAR1POLBHPGD
SCHEMBL8192039 0.79 HTR1A (0.46) FFAR1POLBHPGDTDP1L3MBTL1
SCHEMBL8855833 0.74 SIRT1 (0.34)
SCHEMBL8976461 0.72 ADRA1D (0.42) POLBHPGDTDP1L3MBTL1HTR1A
SCHEMBL4523570 0.71 TXNRD1 (0.36) KMT2ATDP1L3MBTL1
SCHEMBL4361272 0.71 TXNRD1 (0.36) KMT2ATDP1L3MBTL1
SCHEMBL7083540 0.70 GABRA1 (0.37) DRD3HTR1ASLC6A2
SCHEMBL7083543 0.70 GABRA1 (0.37) DRD3HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381613-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-(1,4)-BENZODIOXANS WYETH CORP (US) 2004-10-13 EP disclosed
US-6706736-B2 AMINES SUCH AS 3-(1-((8-METHYL-2,3-DIHYDROFURO(2,3-F)(1,4) BENZODIOXIN-2-YL)METHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE, ADMINISTERED AS SEROTONIN REUPTAKE INHIBITORS OR ANXIOLYTIC AGENTS WYETH 2004-03-16 US disclosed
US-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2003-08-28 US disclosed
US-6552049-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-04-22 US disclosed
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2002-12-05 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-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 DRD2 10/4885DRD4 22/4885DRD3 19/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 DRD2 17/4885DRD4 35/4885DRD3 31/4885

“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.