Sugi Predict

Sugi Predict / Compounds / SCHEMBL477889

SCHEMBL477889

SCHEMBL477889

[O-][n+]1cc(CN2CCOCC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KCNJ1 P48048 1/20 0.50
▸ HIF1A Q16665 3/20 0.47
▸ EPAS1 Q99814 3/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ CYP2A13 Q16696 2/20 0.45
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ HPGD P15428 1/20 0.43

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
SCHEMBL4063051 0.85 HRH3 (0.57) HRH3SMN1; SMN2ALDH1A1
SCHEMBL4058468 0.85 HRH3 (0.52) HRH3SMN1; SMN2ALDH1A1
SCHEMBL3183618 0.84 HRH3 (0.60) HRH3SMN1; SMN2ALDH1A1
SCHEMBL3194408 0.83 LMNA (0.56) HRH3ALDH1A1LMNANPC1RAB9A
SCHEMBL4066568 0.80 DRD4 (0.62) ALDH1A1MAPTSIGMAR1
SCHEMBL15467001 0.79 HRH3 (0.87) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4056900 0.79 HRH3 (0.59) HRH3ALDH1A1SIGMAR1
SCHEMBL4058996 0.78 CHKA (0.63) ALDH1A1LMNASIGMAR1
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.76 HRH3 (0.74) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4058689 0.76 L3MBTL3 (0.55) HRH3SMN1; SMN2ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 — — EP claimed
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 — — CN claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 — — US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 — — EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 — — WO claimed
EP-2411379-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-12-17 — — EP disclosed
US-8318793-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO. KG (DE) 2012-11-27 — — US disclosed
CN-102388034-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2012-03-21 — — CN disclosed
EP-2411379-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbott GmbH & Co. KG (DE) 2012-02-01 — — EP disclosed
US-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-01-06 — — US disclosed
WO-2010109005-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-09-30 — — WO disclosed
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 — — US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 — — EP disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 — — US disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 — — EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 — — US disclosed
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 — — CN disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 — — US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 — — EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 — — 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 (3 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-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 HRH3 4029/4885SMN1; SMN2 3211/4885ALDH1A1 3849/4885
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP HRH3 1956/4885SMN1; SMN2 2475/4885ALDH1A1 2460/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 HRH3 2277/4885SMN1; SMN2 1242/4885ALDH1A1 228/4885

“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.