SCHEMBL7230875

SCHEMBL7230875

CN1CCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NR1H2 P55055 1/20 0.47
NAMPT P43490 1/20 0.47
ESR2 Q92731 1/20 0.46
DRD2 P14416 3/20 0.45
GPR119 Q8TDV5 4/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7235836 0.90 PDK2 (0.53) PDK2ALDH1A1LMNAMAPTNR1H2
SCHEMBL8627028 0.85 PDK2 (0.48) PDK2ALDH1A1LMNAMAPTNR1H2
SCHEMBL8627023 0.84 ITGB3 (0.50) PDK2ALDH1A1LMNAMAPTNR1H2
SCHEMBL22022214 0.83 PDK2 (0.53) PDK2ALDH1A1LMNAMAPTNAMPT
SCHEMBL7235709 0.82 PDK2 (0.46) PDK2ALDH1A1LMNAMAPTNAMPT
SCHEMBL7228535 0.82 PDK2 (0.46) PDK2ALDH1A1LMNAMAPTNAMPT
SCHEMBL8897232 0.81 MAPT (0.46) PDK2ALDH1A1LMNAMAPTNR1H2
SCHEMBL5863853 0.81 PDK2 (0.50) PDK2ALDH1A1LMNAMAPTNAMPT
SCHEMBL5863782 0.81 PDK2 (0.51) PDK2ALDH1A1LMNAMAPTNAMPT
SCHEMBL7237081 0.81 SMN1; SMN2 (0.54) PDK2ALDH1A1LMNAMAPTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 EP 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-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 PDK2 2822/4885ALDH1A1 3399/4885LMNA 1399/4885

“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.