SCHEMBL3454884

SCHEMBL3454884

COc1ccc(C(=O)N2c3ccc(F)cc3CCC2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
ALDH1A1 P00352 5/20 0.74
HTT P42858 3/20 0.74
LMNA P02545 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 1/20 0.61
MCL1 Q07820 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NR3C2 P08235 2/20 0.58
NR3C1 P04150 1/20 0.58
PDK1 Q15118 7/20 0.57
PDK2 Q15119 7/20 0.57
PDK3 Q15120 7/20 0.57
PDK4 Q16654 7/20 0.57
HSP90AA1 P07900 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 1/20 0.55

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
SCHEMBL3455637 0.89 TSHR (0.80) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL3457232 0.81 ALDH1A1 (0.72) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL16970969 0.79 TSHR (1.00) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL3455827 0.77 ALDH1A1 (0.63) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL3455068 0.74 PDK1 (0.68) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL23054184 0.74 MEN1 (1.00) TSHRALDH1A1HTTLMNAKDM4E
SCHEMBL13776668 0.73 PDK1 (0.61) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL16585828 0.73 PDK1 (1.00) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL3454808 0.73 PDK1 (0.72) TSHRALDH1A1HTTLMNAL3MBTL1
SCHEMBL16585767 0.73 PDK1 (1.00) PDK1PDK2PDK3PDK4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US claimed
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders NOVO NORDISK A/S (DK) 2009-05-28 US claimed
US-20080108598-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2008-05-08 US claimed
EP-1862181-A2 Combination therapy using an 11B-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-12-05 EP claimed
EP-1854487-A2 Combinations of an 11-beta-hydroxysteroid dehaydrogenase type 1 inhibitor and a glucocorticoid receptor agonist Novo Nordisk A/S (DK) 2007-11-14 EP claimed
US-20060111366-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2006-05-25 US claimed
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2006-05-25 US claimed
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HIGH POINT PHARMACEUTICALS, LLC 2006-05-04 US claimed
EP-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615667-A2 COMBINATIONS OF AN 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
EP-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
EP-2239012-A2 Pharmaceutical use of substituted amides High Point Pharmaceuticals, LLC (US) 2010-10-13 EP disclosed
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 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 (7 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-20080108598-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 TSHR 3150/4885ALDH1A1 206/4885HTT 3165/4885
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HSD11B1, HSD17B1, NR3C1 TSHR 641/4885ALDH1A1 253/4885HTT 4448/4885
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders HSD11B1, HSD11B2, HSD17B1 TSHR 2931/4885ALDH1A1 74/4885HTT 2515/4885
US-20060111348-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders HSD11B1, HSD11B2, HSD17B1 TSHR 2931/4885ALDH1A1 74/4885HTT 2515/4885
US-20090264412-A1 Combination Therapy Using An 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor And A Glucocorticoid Receptor Agonist To Minimize The Side Effects Associated With Glucocorticoid Receptor Agonist Therapy HSD11B1, HSD17B1, NR3C1 TSHR 641/4885ALDH1A1 253/4885HTT 4448/4885
US-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof HSD11B1, HSD11B2, HSD3B1 TSHR 3167/4885ALDH1A1 232/4885HTT 3379/4885
US-20060111366-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 TSHR 3150/4885ALDH1A1 206/4885HTT 3165/4885

“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.