SCHEMBL2920668

SCHEMBL2920668

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](C(c4ccccc4)S(C)(=O)=O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.35
RORC P51449 3/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
GRM5 P41594 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
SCHEMBL2921036 0.88 REN (0.42) RENMAPT
SCHEMBL2925350 0.84 REN (0.37) RENRORCNPC1MAPT
SCHEMBL8471176 0.84 REN (0.34) RENNPC1MAPTGRM5
Bromide SCHEMBL2920717 0.84 NPC1 (0.32) RENRORCNPC1MAPT
SCHEMBL8259080 0.83 REN (0.36) RENRORCNPC1MAPT
SCHEMBL8258251 0.83 REN (0.38) RENRORCMAPTGRM5
SCHEMBL2925073 0.83 REN (0.36) RENRORCNPC1MAPT
SCHEMBL2925028 0.83 REN (0.36) RENRORCNPC1MAPT
SCHEMBL3466441 0.83 REN (0.35) RENRORCMAPTBACE1
SCHEMBL2920613 0.82 REN (0.38) RENGRM5

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 5 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

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 1/4885RORC 4757/4885NPC1 3393/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885RORC 2727/4885NPC1 1614/4885

“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.