SCHEMBL2923528

SCHEMBL2923528

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
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
MAPT P10636 3/20 0.34
FKBP1A P62942 1/20 0.34
CYP2C9 P11712 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.33
HSD11B1 P28845 1/20 0.33
REN P00797 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKLR P30613 1/20 0.32

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
SCHEMBL2920543 0.94 LMNA (0.34) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL1040944 0.93 LMNA (0.33) LMNASMN1; SMN2PKMALDH1A1MAPT
SCHEMBL2920405 0.92 FKBP1A (0.36) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2922334 0.92 NPC1 (0.35) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2924259 0.92 LMNA (0.33) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2918540 0.92 LMNA (0.33) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2926300 0.92 LMNA (0.33) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2916927 0.92 SMN1; SMN2 (0.34) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2916947 0.92 KMT2A (0.33) NPC1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL2924301 0.92 KMT2A (0.33) NPC1LMNASMN1; SMN2PKMALDH1A1

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 10 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-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 (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 NPC1 3393/4885LMNA 655/4885SMN1; SMN2 2302/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 NPC1 1614/4885LMNA 2502/4885SMN1; SMN2 2529/4885

“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.