SCHEMBL8252006

SCHEMBL8252006

COC(=O)C1=C(c2ccc3ccccc3c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.58
SLC6A2 P23975 5/20 0.58
SLC6A4 P31645 8/20 0.47
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
NR1H2 P55055 2/20 0.44
ESR2 Q92731 1/20 0.43
NAMPT P43490 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL6418231 0.87 CHRM5 (0.59) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL8252572 0.86 ALOX15 (0.45) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL8261717 0.86 CHRM2 (0.51) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL8254327 0.85 CHRM2 (0.41) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL3194232 0.84 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4NR1H2ESR2
SCHEMBL8253723 0.84 ESR2 (0.52) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL8250997 0.84 NR1H2 (0.43) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL8264380 0.83 ESR2 (0.49) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL1750511 0.83 ESR2 (0.53) SLC6A3SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL7052243 0.83 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4CHRM2CHRM4

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 SLC6A3 230/4885SLC6A2 281/4885SLC6A4 721/4885

“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.