SCHEMBL4742431

SCHEMBL4742431

CCOCC(=O)N1CCC[C@@]1(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
DPP4 P27487 1/20 0.35
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4742148 0.84 ALDH1A1 (0.44) ALDH1A1DPP4
SCHEMBL4742512 0.79 DPP4 (0.38) ALDH1A1DPP4
SCHEMBL10202109 0.78 ALDH1A1 (0.38) ALDH1A1DPP4MAPTHTT
SCHEMBL4730743 0.76 ALDH1A1 (0.36) ALDH1A1MAPTHTT
SCHEMBL4742954 0.75 DPP4 (0.33) DPP4
SCHEMBL4742054 0.75 DPP4 (0.36) ALDH1A1DPP4
SCHEMBL10187036 0.74 DPP4 (0.33) ALDH1A1DPP4
SCHEMBL16563021 0.73 DPP4 (0.35) DPP4
SCHEMBL4743137 0.73 DPP4 (0.35) DPP4
SCHEMBL16980483 0.73 DPP4 (0.35) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 ALDH1A1 1042/4885DPP4 475/4885MAPT 4309/4885

“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.