SCHEMBL2079237

SCHEMBL2079237

O=C(O)C1(c2cccc(F)c2)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.65
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX7 Q99572 1/20 0.47
APP P05067 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HDAC4 P56524 2/20 0.45
SLC6A2 P23975 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
HSD11B1 P28845 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
SCHEMBL30487797 1.00 AKR1C1 (0.65) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL435932 0.98 AKR1C1 (0.62) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL3219884 0.98 AKR1C1 (0.62) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL2535205 0.97 AKR1C1 (0.59) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL301111 0.93 AKR1C1 (0.53) AKR1C1APPCYP3A4CYP2C9CYP2C19
Bromodichloroacetic Acid SCHEMBL7813487 0.90 AKR1C1 (0.53) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL1626768 0.85 ALDH1A1 (0.48) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL6505689 0.85 CYP2D6 (0.48) AKR1C1ALDH1A1APPCYP3A4CYP2C9
SCHEMBL5768673 0.85 AKR1C1 (0.46) AKR1C1APPCYP3A4CYP2C9CYP2C19
SCHEMBL16266715 0.83 LMNA (0.54) AKR1C1ALDH1A1LMNATSHRNPSR1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-20150265613-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2015-09-24 US disclosed
US-8993632-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-03-31 US disclosed
EP-2835367-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme AbbVie Inc. (US) 2015-02-11 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-7217838-B2 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid; fortherapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action ABBOTT LABORATORIES (US) 2007-05-15 US disclosed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US disclosed
US-7179839-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
EP-1732906-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2006-12-20 EP disclosed
WO-2006074330-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 WO disclosed
US-20060149070-A1 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid, for therapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action ABBVIE INC. 2006-07-06 US disclosed
CN-1259307-C Acylated indanyl amines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2006-06-14 CN disclosed
WO-2005097767-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2005-10-20 WO disclosed
CN-1491207-A Acylated indanyl amines and their use as pharmaceuticals ������ҽҩ�¹����޹�˾ 2004-04-21 CN disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 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 (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-20060149070-A1 Compounds such as E-4-{[1-(4-Chloro-phenyl)-cyclobutanecarbonyl]-amino}-adamantane-1-carboxylic acid, for therapy of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome and diseases and conditions that are mediated by excessive glucocorticoid action HSD17B1, HSD11B1, HSD3B1 AKR1C1 263/4885ALDH1A1 229/4885LMNA 3850/4885
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 AKR1C1 69/4885ALDH1A1 144/4885LMNA 3155/4885
US-20150265613-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 AKR1C1 156/4885ALDH1A1 177/4885LMNA 3958/4885
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 AKR1C1 2204/4885ALDH1A1 4277/4885LMNA 4584/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 AKR1C1 2204/4885ALDH1A1 4277/4885LMNA 4584/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB AKR1C1 240/4885ALDH1A1 583/4885LMNA 1843/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA AKR1C1 170/4885ALDH1A1 829/4885LMNA 1562/4885

“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.