SCHEMBL3465258

SCHEMBL3465258

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CCC(=O)Nc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
RORC P51449 5/20 0.38
REN P00797 3/20 0.37
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2924312 0.92 REN (0.36) MAPTRORCRENTSHRMEN1
SCHEMBL2950514 0.89 REN (0.42) MAPTRORCRENALDH1A1SMN1; SMN2
SCHEMBL3464869 0.89 REN (0.42) MAPTRORCRENALDH1A1SMN1; SMN2
SCHEMBL3556956 0.89 REN (0.35) MAPTRORCRENALDH1A1SMN1; SMN2
SCHEMBL2923834 0.89 REN (0.37) MAPTRENMEN1KMT2ASMN1; SMN2
SCHEMBL13498080 0.89 REN (0.37) MAPTRENMEN1KMT2ASMN1; SMN2
SCHEMBL2916737 0.88 REN (0.34) MAPTRORCRENMEN1ALDH1A1
SCHEMBL2953872 0.88 REN (0.40) REN
SCHEMBL2920387 0.88 MAPT (0.41) MAPTRENTSHRMEN1ALDH1A1
SCHEMBL3464431 0.88 REN (0.36) MAPTRORCRENMEN1ALDH1A1

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
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 MAPT 3109/4885RORC 4757/4885REN 1/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885RORC 2727/4885REN 1/4885

“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.