SCHEMBL4911019

SCHEMBL4911019

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(=O)N(Cc3ccncc3)C3CC3)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.49
PTPRB P23467 1/20 0.33
PTPN11 Q06124 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
SLC2A1 P11166 1/20 0.32
USP30 Q70CQ3 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NAMPT P43490 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HSD11B1 P28845 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
SCHEMBL14089259 1.00 REN (0.49) RENPTPRBPTPN11JAK2JAK1
SCHEMBL14089260 0.91 REN (0.46) RENPTPRBPTPN11SLC2A1USP30
SCHEMBL4903361 0.91 REN (0.46) RENPTPRBPTPN11SLC2A1USP30
SCHEMBL14089253 0.90 REN (0.49) RENUSP30GPR119
SCHEMBL4911727 0.90 REN (0.49) RENUSP30GPR119
SCHEMBL4916155 0.89 REN (0.48) RENUSP30
SCHEMBL4903326 0.88 REN (0.51) RENUSP30NAMPT
SCHEMBL14089243 0.88 REN (0.51) RENUSP30NAMPT
SCHEMBL4903385 0.87 REN (0.47) REN
SCHEMBL4910578 0.87 REN (0.51) RENPTPRBPTPN11JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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 (1 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885PTPRB 2113/4885PTPN11 2588/4885

“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.