SCHEMBL1045346

SCHEMBL1045346

COC(=O)C(C)(C)[C@H]1CC[C@@H](OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
DGAT1 O75907 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPT P10636 2/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
EPHX1 P07099 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1045347 1.00 EPHX2 (0.35) EPHX2DGAT1MAPK8MAPTAPOBEC3A
SCHEMBL20054644 0.89 DGAT1 (0.39) EPHX2DGAT1EPHX1SMN1; SMN2
SCHEMBL11708952 0.83 EPHX1 (0.38) EPHX2DGAT1EPHX1SMN1; SMN2GAA
SCHEMBL1051212 0.82 MAPT (0.33) EPHX2MAPK8MAPTAPOBEC3AAPOBEC3G
SCHEMBL1047605 0.82 MMP2 (0.36) EPHX2DGAT1MAPTEPHX1KDM4E
SCHEMBL1051214 0.82 MAPT (0.33) EPHX2MAPK8MAPTAPOBEC3AAPOBEC3G
SCHEMBL1045238 0.82 MMP2 (0.36) EPHX2DGAT1MAPTEPHX1KDM4E
SCHEMBL12928726 0.82 EPHX2 (0.33) EPHX2MAPK8MAPTAPOBEC3AAPOBEC3G
SCHEMBL12928724 0.82 EPHX2 (0.33) EPHX2MAPK8MAPTAPOBEC3AAPOBEC3G
SCHEMBL1051043 0.82 MMP2 (0.36) EPHX2DGAT1MAPTEPHX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP disclosed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
EP-1735270-B1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-30 EP disclosed
US-7718675-B2 Diamino alcohols and their use as renin inhibitor SPEEDEL EXPERIMENTA AG (CH) 2010-05-18 US disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis SPEEDEL EXPERIMENTA AG (CH) 2007-07-12 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
US-20070021399-A1 Amido-amino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
US-20070021413-A1 Diamino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
EP-1745777-A1 Amido-aminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 EP disclosed
EP-1745778-A2 Diaminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 EP disclosed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 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 (6 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-20070021399-A1 Amido-amino alcohols as therapeutic compounds CTSD, BACE1, CTSL EPHX2 2416/4885DGAT1 3044/4885MAPK8 4290/4885
US-20070021413-A1 Diamino alcohols as therapeutic compounds CTSD, BACE1, CTSL EPHX2 1945/4885DGAT1 1515/4885MAPK8 4104/4885
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A EPHX2 2882/4885DGAT1 3934/4885MAPK8 1531/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 EPHX2 1768/4885DGAT1 4400/4885MAPK8 1390/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C EPHX2 1438/4885DGAT1 2750/4885MAPK8 3459/4885
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis REN, AGTR1, AGTR2 EPHX2 1478/4885DGAT1 1715/4885MAPK8 530/4885

“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.