SCHEMBL2924968

SCHEMBL2924968

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(=O)N(C)Cc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.35
TACR1 P25103 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1S Q13698 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2924946 0.92 REN (0.35) RENMAPTALDH1A1
SCHEMBL2924269 0.90 MEN1 (0.34) RENTACR1MAPTALDH1A1
SCHEMBL3466104 0.90 REN (0.33) REN
SCHEMBL2920570 0.90 REN (0.32) RENMAPTALDH1A1
SCHEMBL2920387 0.88 MAPT (0.41) RENMAPTALDH1A1
SCHEMBL2916737 0.87 REN (0.34) RENMAPTALDH1A1
SCHEMBL3465071 0.86 REN (0.35) RENCACNA1SMAPTALDH1A1
SCHEMBL13498081 0.86 REN (0.35) RENCACNA1SMAPTALDH1A1
SCHEMBL2925500 0.86 REN (0.36) RENMAPTALDH1A1LMNA
SCHEMBL2923224 0.86 REN (0.36) RENMAPTALDH1A1

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 11 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-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US 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
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
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
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US 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 1/4885TACR1 332/4885MAPK1 1012/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885TACR1 49/4885MAPK1 1124/4885

“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.