SCHEMBL7046510

SCHEMBL7046510

CCN(C)C(=O)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.43
MTTP P55157 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
APEX1 P27695 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
SCHEMBL11086633 0.80 SCN1A (0.40)
SCHEMBL5863723 0.78 THRB (0.46) PDK2MTTPAPEX1
SCHEMBL7610982 0.78 PDK2 (0.40) PDK2APEX1
SCHEMBL6777657 0.77 APEX1 (0.40) MTTPAPEX1
SCHEMBL5863866 0.77 APEX1 (0.40) PDK2MTTPAPEX1
Hydrochloric Acid SCHEMBL6777668 0.77 THRB (0.44) PDK2MTTPAPEX1
SCHEMBL5863337 0.77 GLA (0.40) PDK2MTTP
SCHEMBL5863393 0.77 MTTP (0.47) PDK2MTTP
SCHEMBL7045213 0.76 MTTP (0.39) PDK2MTTPAPEX1
Propionamide SCHEMBL27574379 0.76 THRB (0.38) MTTPAPEX1

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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC PDK2 2312/4885MTTP 1/4885SLC6A2 1738/4885

“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.