SCHEMBL2918847

SCHEMBL2918847

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(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
RORC P51449 4/20 0.32
REN P00797 1/20 0.32
CYP2C9 P11712 2/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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 0.95 REN (0.32) RORCRENCYP2C9KMT2A
SCHEMBL1517996 0.94 REN (0.32) RORCRENCYP2C9KMT2A
SCHEMBL1041031 0.94 CYP2C9 (0.33) RORCRENCYP2C9KMT2APOLB
SCHEMBL5505093 0.94 CYP2C9 (0.33) RORCRENCYP2C9KMT2APOLB
SCHEMBL1040945 0.94 LMNA (0.32) LMNAALDH1A1SMN1; SMN2PKMRORC
SCHEMBL1517809 0.92 REN (0.31) RENCYP2C9
SCHEMBL2922299 0.91 NPC1 (0.34) FKBP1ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL3950592 0.91 NPC1 (0.34) FKBP1ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2919069 0.90 RORC (0.36) FKBP1ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2920447 0.90 RORC (0.36) FKBP1ALMNAALDH1A1SMN1; SMN2PKM

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 FKBP1A 3930/4885LMNA 655/4885ALDH1A1 435/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 FKBP1A 3129/4885LMNA 2502/4885ALDH1A1 222/4885

“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.