SCHEMBL3469067

SCHEMBL3469067

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(O)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 4/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
KMO O15229 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2684184 1.00 REN (0.40) RENTSHRPOLBTP53KDM4E
SCHEMBL3911082 0.94 MAPT (0.40) RENTSHRPOLBTP53MAPT
SCHEMBL2683775 0.94 REN (0.39) RENTSHRPOLBTP53KDM4E
SCHEMBL5284061 0.94 REN (0.39) RENTSHRPOLBTP53KDM4E
SCHEMBL3906325 0.94 REN (0.40) RENTSHRPOLBTP53KDM4E
SCHEMBL3949181 0.94 REN (0.39) RENTSHRPOLBTP53KDM4E
SCHEMBL2684820 0.93 TSHR (0.39) RENTSHRPOLBTP53KDM4E
SCHEMBL3902931 0.92 REN (0.38) RENTSHRPOLBTP53KDM4E
SCHEMBL4581441 0.91 REN (0.37) RENTSHRPOLBTP53MAPT
SCHEMBL3268089 0.91 REN (0.37) RENTSHRPOLBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE REN 1/4885TSHR 824/4885POLB 2956/4885

“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.