Sugi Predict

Sugi Predict / Compounds / SCHEMBL3021540

SCHEMBL3021540

SCHEMBL3021540

N#CCc1c([N+](=O)[O-])ccc2c1OC(CNCc1ccccc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ PKM P14618 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3032880 1.00 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1MEN1
Oxalic Acid SCHEMBL3026945 0.96 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13481940 0.87 DRD2 (0.49) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL3026936 0.87 DRD2 (0.53) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL3026950 0.87 DRD2 (0.53) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13222462 0.85 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13222400 0.85 DRD2 (0.47) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13481957 0.83 MEN1 (0.50) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL3194532 0.83 MEN1 (0.50) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL13481942 0.81 TXNRD1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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 16 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
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
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
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-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-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
WO-2008118935-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) 2008-10-02 — — WO 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

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 DRD2 7/4885DRD4 22/4885DRD3 10/4885
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 DRD2 27/4885DRD4 59/4885DRD3 36/4885

“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.