SCHEMBL567826

SCHEMBL567826

O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2cccc(F)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ POLB P06746 3/20 0.54
▸ PDE2A O00408 2/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ THRB P10828 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ AIMP2 Q13155 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SCD5 Q86SK9 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
SCHEMBL567463 1.00 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL567462 1.00 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL567955 0.88 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566836 0.88 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566837 0.88 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566508 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566509 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL574675 0.88 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566339 0.87 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2POLBPDE2A
SCHEMBL566338 0.87 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2POLBPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1519/4885HPGD 1705/4885SMN1; SMN2 78/4885
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 1368/4885HPGD 1632/4885SMN1; SMN2 102/4885
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 1363/4885HPGD 1595/4885SMN1; SMN2 107/4885
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 1519/4885HPGD 1705/4885SMN1; SMN2 78/4885

“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.

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