SCHEMBL1049323

SCHEMBL1049323

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.37
EPHX1 P07099 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
NFKB1 P19838 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 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
SCHEMBL12928746 0.78 SSTR4 (0.34) SSTR4EPHX1CA12CA1CA7
SCHEMBL21135960 0.77 PDK1 (0.35) SSTR4EPHX1
SCHEMBL5805459 0.77 EPHX1 (0.32) SSTR4EPHX1CA1LMNA
SCHEMBL8283625 0.76 CA1 (0.38) SSTR4EPHX1CA12CA1CA7
SCHEMBL1046906 0.76 SSTR4 (0.33) SSTR4EPHX1CA12CA1CA7
SCHEMBL21135703 0.74 PDK1 (0.32)
SCHEMBL12307785 0.74 PDK1 (0.33) SSTR4EPHX1
SCHEMBL18557170 0.74 SSTR4 (0.33) SSTR4EPHX1
SCHEMBL21136020 0.71 CA1 (0.33) CA12CA1CA7CA14
SCHEMBL3874080 0.71 ALDH1A1 (0.32) CA12CA1CA7CA14

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 22 patents — showing the first 20. 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-1910141-A Diamino alcohols and their use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-02-07 CN disclosed
US-20070021413-A1 Diamino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US 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-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
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 (5 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-20070021413-A1 Diamino alcohols as therapeutic compounds CTSD, BACE1, CTSL SSTR4 3024/4885EPHX1 1407/4885CA12 2384/4885
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A SSTR4 1011/4885EPHX1 1650/4885CA12 4566/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 SSTR4 1675/4885EPHX1 739/4885CA12 4456/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C SSTR4 1076/4885EPHX1 522/4885CA12 2917/4885
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 1284/4885EPHX1 568/4885CA12 4877/4885

“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.