SCHEMBL2920151

SCHEMBL2920151

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](CCCOc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.34
MET P08581 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX4 Q99571 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 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
SCHEMBL2925215 0.95 TP53 (0.37) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2921292 0.94 TMEM97 (0.35) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2922840 0.94 TMEM97 (0.35) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2923001 0.93 TMEM97 (0.35) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2917973 0.93 TMEM97 (0.35) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2921297 0.92 TMEM97 (0.34) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2922473 0.92 TMEM97 (0.35) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2925718 0.91 TMEM97 (0.33) RENTMEM97SIGMAR1TP53ALDH1A1
SCHEMBL2917780 0.91 TP53 (0.34) RENTMEM97SIGMAR1TP53MET
SCHEMBL2919302 0.91 TP53 (0.34) RENTMEM97SIGMAR1TP53ALDH1A1

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 7 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-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 REN 1/4885TMEM97 3298/4885SIGMAR1 1382/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885TMEM97 2537/4885SIGMAR1 1244/4885

“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.