SCHEMBL6106571

SCHEMBL6106571

Fc1ccc2c(C3=CCN(CC4COc5cccnc5O4)CC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.54
SLC6A4 P31645 4/20 0.54
DRD2 P14416 3/20 0.49
HTR2A P28223 2/20 0.49
TDO2 P48775 1/20 0.45
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL6105713 0.93 HTR1A (0.57) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6108012 0.89 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2AADRA1D
SCHEMBL6105063 0.83 SLC6A4 (0.50) HTR1ASLC6A4
SCHEMBL5845217 0.82 HTR1A (0.66) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6629048 0.82 HTR1A (0.59) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6628211 0.80 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6629700 0.80 HTR1A (0.65) HTR1ASLC6A4DRD2HTR2A
SCHEMBL7122366 0.79 HTR1A (0.58) HTR1ASLC6A4DRD2HTR2ATDO2
SCHEMBL6628881 0.79 HTR1A (0.61) HTR1ASLC6A4DRD2HTR2A
SCHEMBL14573474 0.79 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2A

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
US-6987117-B2 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2006-01-17 US claimed
US-20040058953-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine TRAN MEGAN (US) 2004-03-25 US claimed
US-6656950-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 2003-12-02 US claimed
US-20020183355-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2002-12-05 US claimed
WO-2002085911-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 1,4-DIOXINO[2,3-b]PYRIDINE WYETH (US) 2002-10-31 WO claimed
US-6987117-B2 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2006-01-17 US disclosed
US-20040058953-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine TRAN MEGAN (US) 2004-03-25 US disclosed
US-6656950-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 2003-12-02 US disclosed
US-20020183355-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine WYETH (US) 2002-12-05 US disclosed
WO-2002085911-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 1,4-DIOXINO[2,3-b]PYRIDINE WYETH (US) 2002-10-31 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-20020183355-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine OPRD1, HSD17B11, OPRM1 HTR1A 11/4885SLC6A4 211/4885DRD2 31/4885
US-20040058953-A1 Antidepressant azaheterocyclylmethyl derivatives of 1,4-dioxino[2,3-b]pyridine OPRD1, HSD17B11, OPRM1 HTR1A 11/4885SLC6A4 211/4885DRD2 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.