SCHEMBL499028

SCHEMBL499028

CN(CCC1(CCCO)NC(=O)c2ccc(Cl)cc21)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A9 P48067 1/20 0.32
AHCY P23526 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL499029 1.00 PDK2 (0.36) PDK2CCNE2CCNE1CDK2HTR2C
SCHEMBL10253752 0.91 PDK2 (0.36) PDK2CCNE2CCNE1CDK2HTR2C
Trifluoroacetic Acid SCHEMBL499609 0.87 PDK2 (0.37) PDK2CCNE2CCNE1CDK2HTR2C
Trifluoroacetic Acid SCHEMBL499608 0.87 PDK2 (0.37) PDK2CCNE2CCNE1CDK2HTR2C
SCHEMBL499353 0.86 SLC6A9 (0.35) PDK2SLC6A9
SCHEMBL8084228 0.86 PDK2 (0.36) PDK2CCNE2CCNE1CDK2HTR2C
SCHEMBL499226 0.77 SLC6A9 (0.34) SLC6A9
SCHEMBL499980 0.71 HPGD (0.34) SLC6A9
SCHEMBL499154 0.66 SMN1; SMN2 (0.38)
SCHEMBL30954592 0.65 AOC3 (0.47) CCNE2CCNE1CDK2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP PDK2 2610/4885CCNE2 3885/4885CCNE1 3484/4885

“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.