SCHEMBL3035136

SCHEMBL3035136

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4c(c3O2)CC(=O)N4)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.37
SLC6A4 P31645 8/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
ADRA1B P35368 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL5954233 1.00 DRD2 (0.37) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL3039847 1.00 DRD2 (0.37) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL5957084 0.91 TSHR (0.36) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7395323 0.87 DRD2 (0.45) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7395079 0.86 DRD2 (0.41) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7397482 0.86 DRD2 (0.44) DRD2SLC6A4LMNAALDH1A1TSHR
SCHEMBL7395078 0.86 DRD2 (0.41) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL5957090 0.85 LMNA (0.36) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL5957082 0.85 LMNA (0.36) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6848171 0.84 DRD2 (0.42) DRD2SLC6A4ADRA1DADRA1AADRA1B

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 14 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
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
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
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
US-5756532-A Aminomethyl-2 3 8 9-tetrahydro-7H-1 4-dioxino 2 3-E!-indol-8-ones and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 US 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
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.