SCHEMBL518206

SCHEMBL518206

CC(C)(C)OC(=O)C1(CC=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
DGAT1 O75907 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL17443912 0.88 USP2 (0.37) CYP4F2CYP4A11
SCHEMBL5007026 0.85 DGAT1 (0.35) CYP4F2CYP4A11DGAT1
SCHEMBL5007117 0.85 DGAT1 (0.35) CYP4F2CYP4A11DGAT1
SCHEMBL517398 0.83 CYP4F2 (0.40) CYP4F2CYP4A11DGAT1
SCHEMBL517246 0.80 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1TDP1
SCHEMBL13523795 0.79
SCHEMBL518170 0.79 CYP4F2 (0.38) CYP4F2CYP4A11DGAT1
SCHEMBL10004678 0.78 CYP4F2 (0.48) CYP4F2CYP4A11DGAT1TDP1
SCHEMBL17033330 0.78 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL517362 0.76 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2023-03-16 US disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US disclosed
CN-110545806-A calcium channel inhibitors CAVION INC 2019-12-06 CN disclosed
WO-2018152317-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. (US) 2018-08-23 WO disclosed
CN-102762541-B Diaza derivatives as modulators of chemokine receptors HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-1688412-A2 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2006-08-09 EP disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed
EP-1362039-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2005-12-21 EP disclosed
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2005-05-19 US disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
EP-1361875-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2003-11-19 EP disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066469-A2 NOVEL HETEROCYCLIC AMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 WO 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 (6 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-11130750-B2 Calcium channel inhibitors CACNA1F, ORAI1, CACNA1E CYP4F2 2875/4885CYP4A11 4670/4885DGAT1 3824/4885
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 CYP4F2 1781/4885CYP4A11 2653/4885DGAT1 1574/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E CYP4F2 2875/4885CYP4A11 4670/4885DGAT1 3824/4885
US-20050107389-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 CYP4F2 1765/4885CYP4A11 2514/4885DGAT1 1491/4885
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 CYP4F2 1254/4885CYP4A11 1708/4885DGAT1 2214/4885
US-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP CYP4F2 420/4885CYP4A11 446/4885DGAT1 3188/4885

“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.