SCHEMBL5463166

SCHEMBL5463166

COC(=O)NCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PAOX Q6QHF9 3/20 0.43
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA1A P35348 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12184811 0.90 KDM4E (0.68) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL3190326 0.89 EPHX1 (0.61) EPHX1TSHRALDH1A1
SCHEMBL13202309 0.88 KDM4E (0.73) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL8107 0.83 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL12448045 0.80 EPHX1 (0.48) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL3646499 0.79
SCHEMBL12743892 0.79 EPHX1 (0.41) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL423443 0.78 ACHE (0.47) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL7252127 0.78 EPHX1 (0.77) KDM4EMAPK1HIF1AEPHX1TSHR
SCHEMBL14433357 0.78 EPHX1 (0.70) KDM4EMAPK1HIF1AEPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016132247-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-08-25 WO disclosed
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-06 US disclosed
EP-2022782-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PIPERIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2009-02-11 EP disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 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 (2 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 KDM4E 660/4885MAPK1 3/4885HIF1A 580/4885
US-20090198052-A1 METHOD FOR PREPARING OPTICALLY ACTIVE PIPERIDINE COMPOUNDS SNCA, SYNJ1, KCNH2 KDM4E 1638/4885MAPK1 283/4885HIF1A 2303/4885

“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.