SCHEMBL2920570

SCHEMBL2920570

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(=O)N(C)Cc4nc5ccccc5n4C)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.32
ALDH1A1 P00352 1/20 0.31
NTRK1 P04629 2/20 0.31
NTRK2 Q16620 2/20 0.31
MAPT P10636 1/20 0.30
ACKR3 P25106 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL2924968 0.90 REN (0.35) RENALDH1A1MAPT
SCHEMBL3466104 0.89 REN (0.33) REN
SCHEMBL2924946 0.86 REN (0.35) RENALDH1A1MAPT
SCHEMBL2921446 0.86 MAPT (0.31) MAPT
SCHEMBL2924269 0.85 MEN1 (0.34) RENALDH1A1MAPT
SCHEMBL2920566 0.83 REN (0.33) RENALDH1A1
SCHEMBL2916737 0.82 REN (0.34) RENALDH1A1MAPT
SCHEMBL3465071 0.81 REN (0.35) RENALDH1A1MAPT
SCHEMBL13498081 0.81 REN (0.35) RENALDH1A1MAPT
SCHEMBL2925500 0.81 REN (0.36) RENALDH1A1MAPT

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 1/4885ALDH1A1 435/4885NTRK1 2916/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885ALDH1A1 222/4885NTRK1 1228/4885

“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.