SCHEMBL3389153

SCHEMBL3389153

CC(C)[C@@H](CO)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
HSD11B2 P80365 1/20 0.35
BRD4 O60885 1/20 0.34
NR1H2 P55055 1/20 0.34
HCRTR2 O43614 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL1050744 1.00 SPHK1 (0.43) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3389152 1.00 SPHK1 (0.43) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1065955 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1066083 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL22318963 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1065953 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL7269484 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL17202758 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1065951 0.86 SPHK1 (0.47) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3390081 0.84 SPHK1 (0.39) SPHK1HSD11B2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
US-20070021399-A1 Amido-amino 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
WO-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY 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 (2 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 SPHK1 1672/4885HSD11B2 1235/4885BRD4 1187/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 SPHK1 3701/4885HSD11B2 489/4885BRD4 886/4885

“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.