SCHEMBL8250997

SCHEMBL8250997

COC(=O)C1=C(c2ccc3occc3c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
ESR2 Q92731 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 2/20 0.39
BACE1 P56817 1/20 0.38
MTOR P42345 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
DYRK1A Q13627 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
PIK3CA P42336 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
SCHEMBL8252006 0.84 SLC6A3 (0.58) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL6418231 0.81 CHRM5 (0.59) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL8253723 0.81 ESR2 (0.52) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL3194232 0.81 SLC6A3 (0.57) NR1H2ESR2SLC6A2SLC6A3
SCHEMBL8261717 0.81 CHRM2 (0.51) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL8264380 0.80 ESR2 (0.49) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL1750511 0.80 ESR2 (0.53) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL10181943 0.80 CHRM2 (0.45) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL7052243 0.80 SLC6A3 (0.58) NR1H2ESR2CHRM2CHRM4CHRM5
SCHEMBL8263641 0.80 CHRM2 (0.45) NR1H2ESR2CHRM2CHRM4CHRM5

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 2535/4885ESR2 2484/4885CHRM2 1269/4885

“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.