SCHEMBL1036302

SCHEMBL1036302

COCCCN1C(=O)COc2ccc(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(C(=O)O)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 4/20 0.34
REN P00797 1/20 0.33

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
SCHEMBL1035254 0.95 TSHR (0.38) TSHRMAPTTP53POLBTHRB
SCHEMBL2916072 0.92 MAPT (0.37) TSHRMAPTTP53POLBTHRB
SCHEMBL1040805 0.84 TSHR (0.37) TSHRMAPTTP53POLBTHRB
SCHEMBL3941797 0.84 TSHR (0.39) TSHRMAPTTP53POLBTHRB
SCHEMBL5505093 0.83 CYP2C9 (0.33) POLBKMT2AREN
SCHEMBL1041031 0.83 CYP2C9 (0.33) POLBKMT2AREN
SCHEMBL4959527 0.83 REN (0.32) KMT2AREN
SCHEMBL2918847 0.82 FKBP1A (0.33) TSHRMAPTPOLBKMT2AREN
SCHEMBL1517996 0.82 REN (0.32) KMT2AREN
SCHEMBL1040945 0.81 LMNA (0.32) POLBREN

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 12 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-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
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 TSHR 3778/4885MAPT 3109/4885TP53 738/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 TSHR 1463/4885MAPT 4219/4885TP53 4616/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 TSHR 2821/4885MAPT 4794/4885TP53 4612/4885

“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.