SCHEMBL4696166

SCHEMBL4696166

CCOC(=O)CO[C@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4407526 1.00 MAPT (0.39) MAPTPKMKMT2ACHRM3CHRM2
SCHEMBL12571540 1.00 MAPT (0.39) MAPTPKMKMT2ACHRM3CHRM2
Hydrochloric Acid SCHEMBL23294651 0.98 MAPT (0.41) MAPTPKMKMT2ACHRM3CHRM2
Hydrochloric Acid SCHEMBL29927379 0.98 MAPT (0.41) MAPTPKMKMT2ACHRM3CHRM2
SCHEMBL1970713 0.90 KMT2A (0.40) MAPTPKMKMT2ACHRM3CHRM2
SCHEMBL13775379 0.90 KMT2A (0.40) MAPTPKMKMT2ACHRM3CHRM2
SCHEMBL2008974 0.90 KMT2A (0.41) MAPTPKMKMT2AMGAMGAA
Hydrochloric Acid SCHEMBL25246154 0.88 KMT2A (0.40) MAPTPKMKMT2AMGAMGAA
SCHEMBL8948677 0.86 GAA (0.41) KMT2AMGAMGAASIMGAM2
SCHEMBL17549025 0.84 MAPT (0.40) MAPTPKMCHRM3CHRM2CHRM1

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 16 patents. 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
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
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 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-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
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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 MAPT 3758/4885PKM 1452/4885KMT2A 3039/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 MAPT 3758/4885PKM 1452/4885KMT2A 3039/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 MAPT 3758/4885PKM 1452/4885KMT2A 3039/4885

“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.