SCHEMBL4369653

SCHEMBL4369653

CC(=NO)c1ccc2c(c1O)O[C@@H](CO)CO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.33
MTNR1A P48039 1/20 0.32
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL4369636 1.00 SLC2A1 (0.33) SLC2A1POLBMTNR1APRKAB2PRKAG1
SCHEMBL4369638 1.00 SLC2A1 (0.33) SLC2A1POLBMTNR1APRKAB2PRKAG1
SCHEMBL4369650 1.00 SLC2A1 (0.33) SLC2A1POLBMTNR1APRKAB2PRKAG1
SCHEMBL4363300 0.84 PRKAB2 (0.38) MTNR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4367785 0.84 PRKAB2 (0.38) MTNR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28745806 0.77 PRKAB2 (0.30) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27608260 0.77 PRKAB2 (0.30) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6476567 0.74 MAPK1 (0.35) SLC2A1POLBMTNR1ALMNAMAPT
SCHEMBL3761317 0.70 PRKAB2 (0.43) POLBMTNR1APRKAB2PRKAG1PRKAA2
SCHEMBL8595403 0.70 PRKAB2 (0.43) POLBMTNR1APRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 US disclosed
US-7135479-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-11-14 US disclosed
US-6613913-B2 Intermediate for antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta [a]naphthalene WYETH 2003-09-02 US disclosed
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH 2003-07-17 US disclosed
US-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2003-06-12 US disclosed
US-6525075-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-02-25 US disclosed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US disclosed
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 US disclosed
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 WO disclosed
WO-2002088140-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE WYETH (US) 2002-11-07 WO disclosed
WO-2002088145-A1 AZABICYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZACYCLOPENTA[a]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-07 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 (8 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-20030109562-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1, 6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D SLC2A1 2532/4885POLB 1307/4885MTNR1A 1767/4885
US-20020183354-A1 Antidepressant azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene OPRD1, HTR1A, HTR1D SLC2A1 2532/4885POLB 1307/4885MTNR1A 1767/4885
US-20030134871-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE OPRD1, HTR1A, HTR1D SLC2A1 2532/4885POLB 1307/4885MTNR1A 1767/4885
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH SLC2A1 2497/4885POLB 765/4885MTNR1A 3103/4885
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists HTR1A, HTR5A, HTR1D SLC2A1 4212/4885POLB 3021/4885MTNR1A 22/4885
US-20020183336-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1D SLC2A1 4099/4885POLB 2155/4885MTNR1A 25/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A SLC2A1 3059/4885POLB 706/4885MTNR1A 2401/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH SLC2A1 1996/4885POLB 832/4885MTNR1A 2962/4885

“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.