SCHEMBL4207046

SCHEMBL4207046

CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.71
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.65
▸ HTT P42858 3/20 0.65
▸ MAPT P10636 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ RXFP1 Q9HBX9 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ NPC1 O15118 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ POLB P06746 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
SCHEMBL18559255 0.87 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL15986510 0.86 TSHR (0.77) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4199802 0.85 TSHR (0.75) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4204014 0.84 KMT2A (0.68) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4210314 0.83 TSHR (1.00) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4208252 0.82 TSHR (0.70) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4214191 0.81 TSHR (0.86) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4206912 0.80 TSHR (0.88) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4212019 0.80 TSHR (0.88) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4198177 0.79 TSHR (0.68) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1

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 25 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-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-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 — — 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-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 — — EP claimed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 — — WO 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-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
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-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
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-1615666-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2006-01-18 — — EP disclosed
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 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-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES 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 (5 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-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 641/4885CYP3A4 323/4885CYP2C9 987/4885
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 2931/4885CYP3A4 398/4885CYP2C9 608/4885
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 2931/4885CYP3A4 398/4885CYP2C9 608/4885
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 641/4885CYP3A4 323/4885CYP2C9 987/4885
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 TSHR 2592/4885CYP3A4 48/4885CYP2C9 78/4885

“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.

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