Sugi Predict

Sugi Predict / Compounds / SCHEMBL2921292

SCHEMBL2921292

SCHEMBL2921292

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 5/20 0.35
▸ SIGMAR1 Q99720 5/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ CACNA1S Q13698 1/20 0.32
▸ REN P00797 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ MMP9 P14780 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ ADAM9 Q13443 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
SCHEMBL2922840 0.97 TMEM97 (0.35) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2925215 0.96 TP53 (0.37) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2920151 0.94 REN (0.35) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2923001 0.94 TMEM97 (0.35) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2917973 0.94 TMEM97 (0.35) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2921297 0.93 TMEM97 (0.34) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2922473 0.92 TMEM97 (0.35) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2925718 0.92 TMEM97 (0.33) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2919302 0.92 TP53 (0.34) TMEM97SIGMAR1TP53ALDH1A1NPSR1
SCHEMBL2917780 0.92 TP53 (0.34) TMEM97SIGMAR1TP53ALDH1A1NPSR1

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 TMEM97 3298/4885SIGMAR1 1382/4885TP53 738/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 TMEM97 2537/4885SIGMAR1 1244/4885TP53 4616/4885

“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.