SCHEMBL2010568

SCHEMBL2010568

CC(C)(C)OC(=O)N1CCCC(c2c[nH]c3ncccc23)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.62
JAK2 O60674 2/20 0.56
JAK1 P23458 2/20 0.56
HPGDS O60760 1/20 0.48
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
SCN9A Q15858 1/20 0.46
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL12509445 0.95 HSD11B1 (0.69) HSD11B1JAK2JAK1HPGDSOPRL1
SCHEMBL2267177 0.89 HSD11B1 (0.63) HSD11B1JAK2JAK1OPRL1OPRM1
SCHEMBL21714117 0.87 HSD11B1 (0.54) HSD11B1JAK2JAK1OPRL1OPRM1
SCHEMBL27748195 0.84 HSD11B1 (0.66) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL21714519 0.83 HSD11B1 (0.55) HSD11B1JAK2JAK1OPRL1OPRM1
SCHEMBL5255106 0.83 KDM4E (0.56) HSD11B1JAK2JAK1HPGDSSCN9A
SCHEMBL30834269 0.83 KDM4E (0.56) HSD11B1JAK2JAK1HPGDSSCN9A
SCHEMBL12009938 0.83 JAK2 (0.51) HSD11B1JAK2JAK1HPGDSSCN9A
SCHEMBL20111931 0.83 HSD11B1 (0.54) HSD11B1JAK2JAK1OPRL1OPRM1
SCHEMBL19972613 0.82 HSD11B1 (0.53) HSD11B1JAK2JAK1HPGDSCCNK

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2247589-B1 7-AZAINDOLE DERIVATIVES AS SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
WO-2008003736-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-10 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 (3 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-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 HSD11B1 1279/4885JAK2 3015/4885JAK1 3744/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 HSD11B1 1287/4885JAK2 3036/4885JAK1 3610/4885
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885JAK2 4503/4885JAK1 3424/4885

“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.