SCHEMBL2920543

SCHEMBL2920543

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CCC#N)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 2/20 0.33
FKBP1A P62942 1/20 0.33
CYP2C9 P11712 2/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD11B1 P28845 1/20 0.32
REN P00797 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKLR P30613 1/20 0.31

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
SCHEMBL2923528 0.94 NPC1 (0.34) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2919704 0.93 NPC1 (0.35) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2917136 0.93 NPC1 (0.35) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2923354 0.93 FKBP1A (0.35) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2916824 0.93 FKBP1A (0.35) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2924197 0.91 FKBP1A (0.36) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2926048 0.91 LMNA (0.34) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL5508707 0.91 FKBP1A (0.36) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2920405 0.91 FKBP1A (0.36) LMNASMN1; SMN2PKMALDH1A1NPC1
SCHEMBL2922334 0.91 NPC1 (0.35) LMNASMN1; SMN2PKMALDH1A1NPC1

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 LMNA 655/4885SMN1; SMN2 2302/4885PKM 1874/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885SMN1; SMN2 2529/4885PKM 1363/4885

“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.