SCHEMBL2919734

SCHEMBL2919734

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
REN P00797 3/20 0.34
THRB P10828 2/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL2925320 0.95 REN (0.36) TSHRRENTHRBKMT2AMAPT
SCHEMBL14272005 0.95 REN (0.36) TSHRRENTHRBKMT2AMAPT
SCHEMBL3561065 0.95 REN (0.36) TSHRRENTHRBKMT2AMAPT
SCHEMBL2926428 0.93 REN (0.33) TSHRREN
SCHEMBL2918523 0.92 REN (0.33) REN
SCHEMBL2922533 0.92 REN (0.33) REN
SCHEMBL2918519 0.92 REN (0.33) REN
SCHEMBL1040158 0.91 REN (0.36) TSHRRENTHRBKMT2AMAPT
SCHEMBL2923032 0.91 REN (0.35) REN
SCHEMBL8470992 0.91 REN (0.35) 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 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
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP 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 TSHR 3778/4885REN 1/4885THRB 2490/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 TSHR 1463/4885REN 1/4885THRB 1811/4885

“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.