SCHEMBL568146

SCHEMBL568146

OC[C@H]1COc2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.60
MAOA P21397 6/20 0.60
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
HTR6 P50406 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
GRM5 P41594 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL21198165 1.00 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL568147 1.00 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL566991 0.95 MAOB (0.60) MAOBMAOAHTR6NPC1ALDH1A1
SCHEMBL566990 0.95 MAOB (0.60) MAOBMAOAHTR6NPC1ALDH1A1
SCHEMBL21198139 0.87 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL21198798 0.87 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL9211093 0.87 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL21198799 0.87 MAOB (0.60) MAOBMAOADRD2DRD4DRD3
SCHEMBL9694749 0.83 ALOX5 (0.65) MAOBMAOADRD2DRD4DRD3
SCHEMBL9211460 0.82 MAOB (0.60) MAOBMAOAHTR6NPC1ALDH1A1

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
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
EP-2941427-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Pierre Fabre Médicament (FR) 2015-11-11 EP disclosed
EP-2176252-B1 2, 3-DIHYDROBENZO[1, 4]DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORP (FI) 2014-09-03 EP disclosed
US-8809536-B2 2,3-dihydrobenzo[1,4] dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-08-19 US disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORPORATION (FI) 2014-06-26 US disclosed
US-8697723-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous system diseases ORION CORPORATION (FI) 2014-04-15 US disclosed
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES ORION CORP (FI) 2013-10-24 US disclosed
US-8492549-B2 2,3-dihydrobenzo(1,4) dioxin-2-ylmethyl derivatives as alpha2C antagonists for use in the treatment of peripheric and central nervous systeme diseases ORION CORPORATION (FI) 2013-07-23 US disclosed
US-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2012-02-09 US disclosed
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2010-08-26 US 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 (5 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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C MAOB 343/4885MAOA 703/4885DRD2 277/4885
US-20130281486-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C MAOB 308/4885MAOA 576/4885DRD2 230/4885
US-20140179926-A1 2,3-DIHYDROBENZO[1,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEM DISEASES PMP22, NPY2R, ADRA2C MAOB 301/4885MAOA 550/4885DRD2 204/4885
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS HCRTR1, HCRTR2, OXSR1 MAOB 213/4885MAOA 430/4885DRD2 22/4885
US-20100216836-A1 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C MAOB 343/4885MAOA 703/4885DRD2 277/4885

“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.