SCHEMBL5767747

SCHEMBL5767747

Cc1nc2ccc3c(c2nc1C)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.78
SLC6A4 P31645 4/20 0.78
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 3/20 0.49
DRD2 P14416 6/20 0.47
HTR2A P28223 4/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.43
HTR6 P50406 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5766210 0.91 HTR1A (0.75) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5766825 0.89 HTR1A (0.62) HTR1ASLC6A4DRD2HTR2AHTR6
SCHEMBL6628011 0.87 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6847481 0.87 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6202798 0.87 HTR1A (0.73) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL4998818 0.87 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5767215 0.87 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6203852 0.86 HTR1A (0.68) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627092 0.86 HTR1A (0.80) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628586 0.85 HTR1A (0.76) HTR1ASLC6A4KDM4ELMNAALOX15

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-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP claimed
US-6617327-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-09-09 US claimed
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline WYETH 2002-12-05 US claimed
EP-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP disclosed
US-7008944-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-Dioxino[2,3-f]quinoxaline WYETH (US) 2006-03-07 US disclosed
US-20040077652-A1 Treating obsessive compulsive disorder, panic attacks, sexual disorders, eating disorders, obesity, drug abuse and ethanol or cocaine dependence; anxiolytic agents WYETH 2004-04-22 US disclosed
US-6617327-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-09-09 US disclosed
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline WYETH 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-20040077652-A1 Treating obsessive compulsive disorder, panic attacks, sexual disorders, eating disorders, obesity, drug abuse and ethanol or cocaine dependence; anxiolytic agents OPRD1, DRD1, ADH1A HTR1A 37/4885SLC6A4 136/4885KDM4E 2586/4885
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline OPRD1, OPRK1, DRD2 HTR1A 31/4885SLC6A4 98/4885KDM4E 388/4885

“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.