SCHEMBL6628533

SCHEMBL6628533

OCC1COc2ccc(O)cc2O1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 2/20 0.58
CYP3A4 P08684 1/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AIMP2 Q13155 1/20 0.42

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
SCHEMBL6629303 1.00 DRD2 (0.58) DRD2DRD4DRD3CYP3A4CHRNB4
SCHEMBL9205750 0.85 DRD3 (0.57) DRD2DRD4DRD3CYP3A4CHRNB4
SCHEMBL9205435 0.85 DRD3 (0.57) DRD2DRD4DRD3CYP3A4CHRNB4
SCHEMBL9206686 0.85 DRD3 (0.57) DRD2DRD4DRD3CYP3A4CHRNB4
Hydrochloric Acid SCHEMBL7816927 0.83 DRD3 (0.56) DRD2DRD4DRD3CYP3A4CHRNB4
Hydrochloric Acid SCHEMBL7831882 0.83 DRD3 (0.56) DRD2DRD4DRD3CYP3A4CHRNB4
SCHEMBL3586040 0.81 CHRNB4 (0.46) DRD2DRD4DRD3CHRNB4CHRNA3
SCHEMBL1021536 0.81 CA2 (0.51) DRD2DRD4DRD3SMN1; SMN2
SCHEMBL6984001 0.81 CA2 (0.58) DRD2DRD4DRD3HSD17B10
SCHEMBL6984007 0.81 CA2 (0.58) DRD2DRD4DRD3HSD17B10

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-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
EP-1381613-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED- 1,4]-BENZODIOXANS Wyeth (US) 2004-01-21 EP 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
WO-2002088135-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-[1,4]-BENZODIOXANS WYETH (US) 2002-11-07 WO 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.