SCHEMBL2920387

SCHEMBL2920387

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(=O)NCc4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
REN P00797 1/20 0.38
MAOA P21397 1/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 2/20 0.36
KDM1A O60341 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
SCHEMBL2925500 0.91 REN (0.36) MAPTRENTSHRTHRBALDH1A1
SCHEMBL2926920 0.90 REN (0.35) MAPTRENTSHRMEN1KMT2A
SCHEMBL2924968 0.88 REN (0.35) MAPTRENALDH1A1
SCHEMBL3465258 0.88 MAPT (0.39) MAPTRENTSHRMEN1KMT2A
SCHEMBL3464869 0.87 REN (0.42) MAPTRENMAOAALDH1A1KDM1A
SCHEMBL2950514 0.87 REN (0.42) MAPTRENMAOAALDH1A1KDM1A
SCHEMBL2924946 0.87 REN (0.35) MAPTRENMEN1KMT2ATHRB
SCHEMBL2923224 0.86 REN (0.36) MAPTRENTHRBALDH1A1CYP3A4
SCHEMBL2924312 0.86 REN (0.36) MAPTRENTSHRMEN1KMT2A
SCHEMBL3465272 0.86 REN (0.40) REN

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
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
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 3109/4885REN 1/4885MAOA 2491/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MAPT 4219/4885REN 1/4885MAOA 586/4885

“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.