SCHEMBL3454750

SCHEMBL3454750

COc1ccc(CC(=O)NC2CCCCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 1.00
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
HPGD P15428 1/20 0.73
CYP2C19 P33261 1/20 0.73
POLB P06746 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
MAPT P10636 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SIGMAR1 Q99720 1/20 0.63
HTT P42858 1/20 0.61
EPHX1 P07099 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL5049577 1.00 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5861982 0.85 EPHX2 (0.74) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10144817 0.85 CYP1A2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26547254 0.84 EPHX2 (0.71) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3456069 0.84 SMN1; SMN2 (0.76) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25893839 0.84 SMN1; SMN2 (0.76) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30768879 0.83 POLB (0.80) EPHX2CYP1A2CYP3A4CYP2C19POLB
SCHEMBL25893862 0.83 RAB9A (0.73) EPHX2CYP1A2HPGDCYP2C19POLB
SCHEMBL23417659 0.81 EPHX2 (0.68) EPHX2HPGDALDH1A1NPC1RAB9A
SCHEMBL22104103 0.81 EPHX2 (0.68) EPHX2CYP1A2CYP3A4CYP2D6CYP2C9

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-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-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-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 EPHX2 1248/4885CYP1A2 79/4885CYP3A4 99/4885
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 EPHX2 1317/4885CYP1A2 225/4885CYP3A4 323/4885
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 EPHX2 985/4885CYP1A2 235/4885CYP3A4 398/4885
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 EPHX2 985/4885CYP1A2 235/4885CYP3A4 398/4885
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 EPHX2 1317/4885CYP1A2 225/4885CYP3A4 323/4885
US-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof HSD11B1, HSD11B2, HSD3B1 EPHX2 1100/4885CYP1A2 79/4885CYP3A4 95/4885
US-20060111366-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 EPHX2 1248/4885CYP1A2 79/4885CYP3A4 99/4885

“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.