SCHEMBL2005832

SCHEMBL2005832

O=C(NC1CCCCC1)c1ccc(Cl)nc1NCCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.50
CNR1 P21554 5/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
SLC6A12 P48065 1/20 0.44
MCHR1 Q99705 1/20 0.44
CHEK1 O14757 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
SCHEMBL2003427 0.91 SLC6A12 (0.54) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL1971284 0.84 HSD11B1 (0.57) NPC1RAB9AKMT2AGAASLC6A12
SCHEMBL14215849 0.78 HSD11B1 (0.76)
SCHEMBL2007403 0.78 HSD11B1 (0.76)
SCHEMBL1970153 0.78 EPHX1 (0.43) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL1970134 0.75 SLC6A12 (0.62) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1972215 0.75 SLC6A12 (0.53) EPHX1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1972688 0.73 CNR2 (0.64) CNR1CNR2
SCHEMBL25151972 0.73 GAA (0.54) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1969935 0.73 RAB9A (0.60) NPC1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 US disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 EPHX1 176/4885NPC1 603/4885RAB9A 1176/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 EPHX1 176/4885NPC1 603/4885RAB9A 1176/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 EPHX1 176/4885NPC1 603/4885RAB9A 1176/4885

“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.