SCHEMBL4212065

SCHEMBL4212065

CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ TSHR P16473 5/20 0.59
▸ HPGD P15428 1/20 0.59
▸ LMNA P02545 7/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HTT P42858 6/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ NPSR1 Q6W5P4 4/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ RECQL P46063 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL4207617 0.89 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4215755 0.88 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4215438 0.88 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4205885 0.88 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4213562 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL4204382 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL4206487 0.83 GPBAR1 (0.55) ALDH1A1SMN1; SMN2TSHRHPGDLMNA
SCHEMBL4206834 0.82 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4208249 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4199777 0.81 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR

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-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-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-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES 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-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-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-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 — — 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

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 ALDH1A1 253/4885NPC1 1815/4885RAB9A 3550/4885
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 ALDH1A1 74/4885NPC1 412/4885RAB9A 2668/4885
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 ALDH1A1 74/4885NPC1 412/4885RAB9A 2668/4885
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 ALDH1A1 253/4885NPC1 1815/4885RAB9A 3550/4885
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 ALDH1A1 132/4885NPC1 376/4885RAB9A 3808/4885

“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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