SCHEMBL568061

SCHEMBL568061

COc1cccc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4O3)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ PDE2A O00408 2/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ DNMT1 P26358 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ CASP8 Q14790 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ RAB9A P51151 1/20 0.51
▸ PROKR1 Q8TCW9 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MYC P01106 1/20 0.48

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
SCHEMBL567587 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL3679061 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL567588 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL567904 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL567903 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL3040025 0.86 KMT2A (0.56) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL3040030 0.86 KMT2A (0.56) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL3040028 0.86 KMT2A (0.56) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL566837 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDGAAPDE2A
SCHEMBL567955 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDGAAPDE2A

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

“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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