SCHEMBL8252151

SCHEMBL8252151

COC(=O)C1=C(c2cccc3c2oc2ccccc23)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
PDK4 Q16654 1/20 0.39
SCN9A Q15858 1/20 0.38
BACE1 P56817 1/20 0.37
ESR2 Q92731 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM5 P08912 2/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
UCHL1 P09936 1/20 0.36
ALK Q9UM73 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL8252717 0.84 NR1H2 (0.44) NR1H2PDK4BACE1ESR2HDAC1
SCHEMBL951733 0.82 NR1H2 (0.47) NR1H2PDK4ESR2CHRM2CHRM4
SCHEMBL8252709 0.80 PARP1 (0.44) NR1H2PDK4SCN9AESR2MAPK1
SCHEMBL8251539 0.78 SLC6A3 (0.49) NR1H2BACE1ESR2CHRM2CHRM4
SCHEMBL8247425 0.78 NR1H2 (0.42) NR1H2PDK4ESR2HDAC1HDAC6
SCHEMBL6418231 0.77 CHRM5 (0.59) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL1751427 0.77 HTR6 (0.41) NR1H2PDK4ESR2HDAC1HDAC6
SCHEMBL8261717 0.75 CHRM2 (0.51) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL8263956 0.73 CHRM5 (0.44) NR1H2ESR2CHRM2CHRM4CHRM1
SCHEMBL8253723 0.73 ESR2 (0.52) NR1H2ESR2CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO 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-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 NR1H2 2535/4885PDK4 1046/4885SCN9A 354/4885

“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.