SCHEMBL6626528

SCHEMBL6626528

C1=C(c2c[nH]c3ccccc23)CCN(CC2COc3ccc4occc4c3O2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.69
SLC6A4 P31645 3/20 0.69
DRD2 P14416 5/20 0.52
HTR2A P28223 3/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 1/20 0.48
POLB P06746 1/20 0.45
HTR6 P50406 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6628542 0.87 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6628786 0.84 HTR1A (0.69) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL5844673 0.84 HTR1A (0.69) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6767324 0.84 HTR1A (0.71) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6628900 0.84 HTR1A (0.78) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6627811 0.84 HTR1A (0.68) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6796482 0.83 HTR1A (0.75) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6628788 0.83 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6843634 0.83 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL6333658 0.82 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2AKDM4E

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 10 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 claimed
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 claimed
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2002-12-05 US claimed
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-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 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-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (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 HTR1A 27/4885SLC6A4 282/4885DRD2 10/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 HTR1A 27/4885SLC6A4 206/4885DRD2 17/4885

“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.