SCHEMBL566562

SCHEMBL566562

CCOC(=O)C1CCCN(CC2COc3ccccc3O2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 5/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL9692476 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EATML3MBTL1
SCHEMBL566654 0.89 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9690403 0.89 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EATML3MBTL1
Hydrochloric Acid SCHEMBL9692399 0.88 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8132707 0.87 DRD2 (0.58) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL15988294 0.85 LTA4H (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566535 0.84 ADRA2A (0.53) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL566421 0.84 LTA4H (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567079 0.83 DRD2 (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8355466 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-2176252-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) 2010-04-21 EP claimed
WO-2009013390-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) 2009-01-29 WO claimed
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
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
EP-2176252-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) 2010-04-21 EP disclosed
WO-2009013390-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) 2009-01-29 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 (4 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 ALDH1A1 1519/4885SMN1; SMN2 78/4885KDM4E 2049/4885
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 ALDH1A1 1368/4885SMN1; SMN2 102/4885KDM4E 2597/4885
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 ALDH1A1 1363/4885SMN1; SMN2 107/4885KDM4E 2605/4885
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 ALDH1A1 1519/4885SMN1; SMN2 78/4885KDM4E 2049/4885

“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.