Sugi Predict

Sugi Predict / Compounds / SCHEMBL7229883

SCHEMBL7229883

SCHEMBL7229883

CC(C)(C)C(=O)N1CCN(c2ccc3c(c2)C(=O)N(C2CCCCC2)C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.44
▸ ACACB O00763 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ HRH2 P25021 1/20 0.37

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
SCHEMBL7229534 0.87 PDK2 (0.47) PDK2ALDH1A1MAPT
SCHEMBL7229396 0.83 MAPT (0.50) PDK2ACACBMEN1KMT2AALDH1A1
SCHEMBL7230384 0.82 ALDH1A1 (0.50) ACACBALDH1A1MAPTPOLBTMEM97
SCHEMBL7231273 0.80 MTR (0.44) ACACBMEN1KMT2AALDH1A1HTT
SCHEMBL7228947 0.79 HRH3 (0.39) ACACBALDH1A1CYP2C9CYP2C19HTT
SCHEMBL7228156 0.79 NR3C1 (0.42) ACACBMEN1KMT2AALDH1A1MAPT
SCHEMBL5863984 0.78 HTR6 (0.42) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7235709 0.78 PDK2 (0.46) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL7228370 0.77 TMEM97 (0.43) PDK2ACACBMEN1KMT2AALDH1A1
SCHEMBL7228190 0.77 CACNA2D1 (0.43) ACACBALDH1A1MAPTHTTTMEM97

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 2822/4885ACACB 174/4885MEN1 3991/4885

“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.