SCHEMBL3194532

SCHEMBL3194532

COC(=O)Cc1c([N+](=O)[O-])ccc2c1OC(CNCc1ccccc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
DRD2 P14416 4/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
HTR1A P08908 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX5 P09917 1/20 0.38
ADRA1D P25100 1/20 0.37

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
SCHEMBL13481957 1.00 MEN1 (0.50) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL13222426 0.92 DRD2 (0.47) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL15031079 0.92 DRD2 (0.47) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL3026936 0.91 DRD2 (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL3026950 0.91 DRD2 (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL13481940 0.88 DRD2 (0.49) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL13222400 0.84 DRD2 (0.47) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL13222462 0.84 DRD2 (0.47) MEN1KMT2ADRD2DRD4DRD3
Oxalic Acid SCHEMBL3026945 0.84 DRD2 (0.52) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL3021540 0.83 DRD2 (0.47) MEN1KMT2ADRD2DRD4DRD3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466296-B2 Compounds and processes for preparing substituted aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-ones LIGAND PHARMACEUTICALS (US) 2013-06-18 US disclosed
EP-2046771-B1 SYNTHESIS OF A COMPOUND WHICH IS SUITABLE AS INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH LLC (US) 2012-07-11 EP disclosed
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES NEUROGEN CORPORATION (US) 2010-08-26 US disclosed
US-7662979-B2 cyanation; dopamine autoreceptor agonists and partial agonists at postsynaptic dopamine D2 receptor; for treating dopaminergic disorders such as schizophrenia, schizoaffective disorder, Parkinson's disease, Tourette's syndrome, hyperprolactinemia, and drug addiction WYETH (US) 2010-02-16 US disclosed
US-7662979-B2 cyanation; dopamine autoreceptor agonists and partial agonists at postsynaptic dopamine D2 receptor; for treating dopaminergic disorders such as schizophrenia, schizoaffective disorder, Parkinson's disease, Tourette's syndrome, hyperprolactinemia, and drug addiction WYETH (US) 2010-02-16 US disclosed
CN-101448814-A Synthesis of a compound which is a suitable intermediate in the synthesis of oxindoledioxane derivatives WYETH CORP (US) 2009-06-03 CN disclosed
EP-2046771-A2 SYNTHESIS OF A COMPOUND WHICH IS SUITABLE INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES Wyeth (US) 2009-04-15 EP disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US disclosed
US-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto WYETH (US) 2007-12-20 US disclosed
WO-2007139998-A2 SYNTHESIS OF A COMPOUND WHICH IS A SUITABLE INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH (US) 2007-12-06 WO disclosed
WO-2007139998-A2 SYNTHESIS OF A COMPOUND WHICH IS A SUITABLE INTERMEDIATE IN THE SYNTHESIS OF OXINDOLEDIOXANE DERIVATIVES WYETH (US) 2007-12-06 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-20070293686-A1 Oxindoledioxans, synthesis thereof, and intermediates thereto HTR5A, OPRL1, SLC6A3 MEN1 4501/4885KMT2A 2032/4885DRD2 7/4885
US-20100217012-A1 COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONES MTNR1A, HTR3C, MTNR1B MEN1 3210/4885KMT2A 870/4885DRD2 27/4885

“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.