SCHEMBL5793971

SCHEMBL5793971

NCc1cnc2c3c(ccc2n1)OCCO3

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.32
PDE10A Q9Y233 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL6007485 0.76 KDM4E (0.35) PDE10A
SCHEMBL5767894 0.71 ADRA2A (0.39) RHOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL7249060 0.71 RHOA (0.32) RHOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL5272070 0.67 KDM4E (0.35)
SCHEMBL28094081 0.66 DYRK1A (0.42) RHOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL20482144 0.64 ADRA2A (0.33) RHOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL2793390 0.62 LMNA (0.33)
SCHEMBL4307834 0.62 MAPT (0.52) ADRA1A
SCHEMBL4677179 0.61 PDE10A (0.69) PDE10A
SCHEMBL4198122 0.60 KDM4E (0.36) RHOAADRA2AADRA2CADRA1DADRA1A

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-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
EP-1381614-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-f]QUINOXALINE Wyeth (US) 2004-01-21 EP 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
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE 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-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 RHOA 4729/4885PDE10A 238/4885ADRA2A 261/4885
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline OPRD1, OPRK1, DRD2 RHOA 4318/4885PDE10A 789/4885ADRA2A 575/4885

“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.