SCHEMBL3456940

SCHEMBL3456940

O=C(NCC1CCCCC1)c1ccc2[nH]c(CO)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48
PRSS12 P56730 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
MLYCD O95822 1/20 0.47
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
MMP13 P45452 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ROCK2 O75116 1/20 0.44
MAPK14 Q16539 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 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
SCHEMBL5967766 0.91 NPSR1 (0.55) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL27203247 0.88 KDM4E (0.51) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL30518070 0.86 ITK (0.50) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL24507313 0.86 ITK (0.46) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL22775761 0.86 ITK (0.50) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL24507600 0.86 ITK (0.50) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL29615785 0.86 ITK (0.50) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL24507604 0.86 ITK (0.50) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL29615588 0.86 ITK (0.46) ITKMEN1KMT2AKDM4EALDH1A1
SCHEMBL3456813 0.85 KDM4E (0.52) ITKMEN1KMT2AKDM4EALDH1A1

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 19 patents. 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
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-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
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 disclosed
US-7501405-B2 Combination therapy using an 11β-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2009-03-10 US disclosed
US-20080108598-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2008-05-08 US disclosed
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 disclosed
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 disclosed
US-20060111366-A1 Pharmaceutical use of substituted amides NOVO NORDISK A/S (DK) 2006-05-25 US disclosed
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 disclosed
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 disclosed
EP-1615698-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 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 ITK 4594/4885MEN1 2380/4885KMT2A 3134/4885
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 ITK 4593/4885MEN1 2970/4885KMT2A 3419/4885
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 ITK 4235/4885MEN1 1615/4885KMT2A 3018/4885
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 ITK 4235/4885MEN1 1615/4885KMT2A 3018/4885
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 ITK 4593/4885MEN1 2970/4885KMT2A 3419/4885
US-20090264414-A1 Amide Derivatives and Pharmaceutical Use Thereof HSD11B1, HSD11B2, HSD3B1 ITK 4561/4885MEN1 2564/4885KMT2A 2931/4885
US-20060111366-A1 Pharmaceutical use of substituted amides HSD11B1, HSD3B1, HSD11B2 ITK 4594/4885MEN1 2380/4885KMT2A 3134/4885

“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.