SCHEMBL8252709

SCHEMBL8252709

COC(=O)C1=C(c2cccc3ncccc23)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
NR1H2 P55055 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
DTYMK P23919 1/20 0.39
SCN9A Q15858 1/20 0.39
GRM5 P41594 1/20 0.39
CREBBP Q92793 1/20 0.38
ESR2 Q92731 1/20 0.38
GBA1 P04062 1/20 0.37
PDK4 Q16654 1/20 0.37
JAK1 P23458 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.85 NR1H2 (0.44) PARP1TNKS2PARP2NR1H2MAPT
SCHEMBL951733 0.80 NR1H2 (0.47) PARP1TNKS2PARP2NR1H2MAPT
SCHEMBL8252151 0.80 NR1H2 (0.40) PARP1TNKS2PARP2NR1H2SCN9A
SCHEMBL8252572 0.80 ALOX15 (0.45) NR1H2MAPTPOLBGRM5ESR2
SCHEMBL19297054 0.77 PDK4 (0.60) PDE10ASCN9AGRM5PDK4JAK1
SCHEMBL8247425 0.77 NR1H2 (0.42) NR1H2MAPTDTYMKESR2GBA1
SCHEMBL6418231 0.76 CHRM5 (0.59) NR1H2ESR2MAPK1
SCHEMBL1751427 0.76 HTR6 (0.41) NR1H2MAPTGRM5ESR2PDK4
SCHEMBL8254327 0.75 CHRM2 (0.41) PARP1TNKS2PARP2NR1H2MAPT
SCHEMBL8253723 0.74 ESR2 (0.52) NR1H2ESR2MAPK1

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 PARP1 2330/4885TNKS2 4617/4885PARP2 2773/4885

“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.