SCHEMBL3032145

SCHEMBL3032145

NCC1COc2ccc3c(c2O1)CC(=O)N3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.42
SLC6A4 P31645 10/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
CA2 P00918 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL13243255 1.00 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3026960 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL8122818 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3032121 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13222379 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
Water SCHEMBL3032078 0.86 DRD2 (0.41) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL15031120 0.84 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL10305227 0.80 CREBBP (0.40) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL5957074 0.79 DRD2 (0.45) DRD2SLC6A4ADRA1DADRA1AADRA1B
Aplindore SCHEMBL3192098 0.78 DRD2 (0.68) DRD2SLC6A4DRD4DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1726592-A1 Dioxino derivatives and their use as dopanine agonists Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP claimed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP claimed
JP-9249671-A None JP 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
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
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
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
EP-1375503-B1 Dioxino derivatives and their use as dopanine agonists WYETH CORP (US) 2006-12-27 EP disclosed
EP-1726592-A1 Dioxino derivatives and their use as dopanine agonists Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP disclosed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP disclosed
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP disclosed
CN-1084748-C Aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]-indol-8-ones and derivatives AERMICAN HOME PRODUCTS CORP (US) 2002-05-15 CN disclosed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 EP disclosed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 WO disclosed
JP-H09249671-A AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO(2,3-E)-INDOL-8-ONE AND ITS DERIVATIVE AMERICAN HOME PROD CORP 1997-09-22 JP disclosed
CN-1155546-A Aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]-indol-8-ones and derivatives AMERICAN HOME PROD (US) 1997-07-30 CN disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP 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 (1 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-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 27/4885SLC6A4 527/4885ADRA1D 53/4885

“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.