Sugi Predict

Sugi Predict / Compounds / SCHEMBL2919302

SCHEMBL2919302

SCHEMBL2919302

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ REN P00797 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ BMP1 P13497 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL2925215 0.94 TP53 (0.37) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2922840 0.92 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2917973 0.92 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2923001 0.92 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2921292 0.92 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2920151 0.91 REN (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2921297 0.90 TMEM97 (0.34) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2922473 0.90 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2925718 0.89 TMEM97 (0.33) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2917780 0.89 TP53 (0.34) TP53ALDH1A1TMEM97SIGMAR1NPSR1

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 TP53 738/4885ALDH1A1 435/4885TMEM97 3298/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 TP53 4616/4885ALDH1A1 222/4885TMEM97 2537/4885

“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.