SCHEMBL1038263

SCHEMBL1038263

Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)C[C@H]2CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
ADAM17 P78536 6/20 0.35
MMP1 P03956 5/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP3 P08254 5/20 0.34

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
SCHEMBL1039792 0.87 LMNA (0.51) LMNAMAPTNPSR1GAATSHR
SCHEMBL5506728 0.87 LMNA (0.51) LMNAMAPTNPSR1GAATSHR
SCHEMBL13435377 0.85 NPSR1 (0.51) LMNAMAPTNPSR1GAATSHR
SCHEMBL1038075 0.84 ESR1 (0.41) LMNAMAPTNPSR1GAATSHR
SCHEMBL1040056 0.82 MMP1 (0.41) LMNAMAPTNPSR1GAATSHR
SCHEMBL1035128 0.80 TSHR (0.48) LMNANPSR1GAATSHRALDH1A1
SCHEMBL5382859 0.76 DRD2 (0.39) LMNAMAPTDRD2DRD1DRD4
SCHEMBL2683351 0.76 DRD2 (0.39) LMNAMAPTDRD2DRD1DRD4
SCHEMBL2919379 0.73 LMNA (0.45) LMNAMAPTNPSR1GAATSHR
SCHEMBL9380136 0.73 MCOLN3 (0.50) LMNANPSR1GAAALDH1A1POLB

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 14 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
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 655/4885MAPT 3109/4885DRD2 1273/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885MAPT 4219/4885DRD2 115/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 LMNA 948/4885MAPT 4794/4885DRD2 251/4885

“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.