Sugi Predict

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SCHEMBL1040945

SCHEMBL1040945

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ REN P00797 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PKM P14618 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ RORC P51449 4/20 0.31
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 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
SCHEMBL4959527 0.96 REN (0.32) RENCYP2C9RORC
SCHEMBL1517809 0.95 REN (0.31) RENCYP2C9
SCHEMBL1517996 0.94 REN (0.32) RENCYP2C9RORC
SCHEMBL5505093 0.94 CYP2C9 (0.33) RENCYP2C9RORCPOLB
SCHEMBL1041031 0.94 CYP2C9 (0.33) RENCYP2C9RORCPOLB
SCHEMBL2918847 0.94 FKBP1A (0.33) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL2389129 0.93 REN (0.31) REN
SCHEMBL1040142 0.91 LMNA (0.33) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL4539304 0.91 LMNA (0.33) LMNASMN1; SMN2RENCYP2C9PKM
SCHEMBL1037150 0.91 LMNA (0.34) LMNASMN1; SMN2RENCYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 — — EP disclosed
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 — — EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 — — US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 — — US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 — — EP disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 — — EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 — — US disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 — — 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 LMNA 655/4885SMN1; SMN2 2302/4885REN 1/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885SMN1; SMN2 2529/4885REN 1/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 LMNA 948/4885SMN1; SMN2 2737/4885REN 29/4885

“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.