SCHEMBL2916072

SCHEMBL2916072

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(OC)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 3/20 0.36
REN P00797 3/20 0.36
TP53 P04637 4/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 2/20 0.35
CYP3A4 P08684 1/20 0.33
PIK3CG P48736 1/20 0.33
SMPD1 P17405 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
SCHEMBL1036302 0.92 TSHR (0.37) MAPTPOLBRENTP53TSHR
SCHEMBL1035254 0.92 TSHR (0.38) MAPTPOLBTP53TSHRTHRB
SCHEMBL2918847 0.89 FKBP1A (0.33) MAPTPOLBRENTSHRCYP3A4
SCHEMBL2924103 0.85 MAPT (0.40) MAPTPOLBRENTP53TSHR
SCHEMBL3941797 0.85 TSHR (0.39) MAPTPOLBRENTP53TSHR
SCHEMBL4959527 0.84 REN (0.32) REN
SCHEMBL3915726 0.83 POLB (0.40) MAPTPOLBRENTP53TSHR
SCHEMBL5505093 0.83 CYP2C9 (0.33) POLBREN
SCHEMBL1517996 0.83 REN (0.32) REN
SCHEMBL1041031 0.83 CYP2C9 (0.33) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 MAPT 3109/4885POLB 2005/4885REN 1/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885POLB 2217/4885REN 1/4885

“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.