SCHEMBL1046906

SCHEMBL1046906

CC(C)(C1CCCCC1)S(=O)(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL27470523 0.81 CA12 (0.31) SSTR4CA12CA1CA7CA14
SCHEMBL29004544 0.78 EPHX1 (0.44) SSTR4CA12CA1CA7CA14
SCHEMBL12928746 0.78 SSTR4 (0.34) SSTR4CA12CA1CA7CA14
SCHEMBL1049323 0.76 SSTR4 (0.37) SSTR4CA12CA1CA7CA14
SCHEMBL8283625 0.76 CA1 (0.38) SSTR4CA12CA1CA7CA14
SCHEMBL7338943 0.71 CYP1A2 (0.32)
Ammonia Solution, Strong SCHEMBL28305902 0.71 CA1 (0.34) SSTR4CA1
SCHEMBL6167503 0.70 KEAP1 (0.34) SSTR4EPHX1
SCHEMBL11047546 0.66 EPHX1 (0.31) SSTR4EPHX1
SCHEMBL3141136 0.66 EPHX1 (0.35) SSTR4EPHX1

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-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
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
CN-1910141-A Diamino alcohols and their use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-02-07 CN 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-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES 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 (4 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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A SSTR4 1011/4885CA12 4566/4885CA1 3662/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 SSTR4 1675/4885CA12 4456/4885CA1 2849/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C SSTR4 1076/4885CA12 2917/4885CA1 2154/4885
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 SSTR4 1284/4885CA12 4877/4885CA1 4866/4885

“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.