SCHEMBL3032121

SCHEMBL3032121

O=C1Cc2c(ccc3c2O[C@@H](CO)CO3)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.42
SLC6A4 P31645 10/20 0.42
ADRA1A P35348 5/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1B P35368 4/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
CREBBP Q92793 2/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33
HTR1D P28221 1/20 0.32

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
SCHEMBL3026960 1.00 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
Water SCHEMBL3032078 0.99 DRD2 (0.41) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL13222379 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL13243255 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL3032145 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL8122818 0.87 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL15031120 0.84 DRD2 (0.42) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL5957098 0.83 DRD2 (0.48) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL5957105 0.81 DRD2 (0.51) DRD2SLC6A4ADRA1AADRA1DADRA1B
SCHEMBL10305227 0.80 CREBBP (0.40) DRD2SLC6A4ADRA1AADRA1DADRA1B

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
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
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

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 527/4885ADRA1A 68/4885

“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.