SCHEMBL753141

SCHEMBL753141

COC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.31
DGAT1 O75907 1/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL8930044 0.81 ALDH1A1 (0.40) ALDH1A1TSHRGAAL3MBTL1DGAT1
SCHEMBL76832 0.80 KDM4C (0.41) KDM4CGAADGAT1
SCHEMBL7033296 0.78 SHMT1 (0.37) GAAL3MBTL1MAPTARKDM4E
SCHEMBL21834933 0.78 KDM4C (0.39) KDM4CGAADGAT1
SCHEMBL16296168 0.78 KDM4C (0.39) KDM4CGAADGAT1
SCHEMBL4783072 0.77 ALDH1A1 (0.30) ALDH1A1DGAT1
SCHEMBL8906594 0.77 ALDH1A1 (0.30) ALDH1A1L3MBTL1DGAT1
SCHEMBL7770065 0.77 ALDH1A1 (0.30) ALDH1A1DGAT1
SCHEMBL27693596 0.77 KDM4C (0.47) KDM4CALDH1A1TSHRGAAKDM4E
SCHEMBL25848572 0.77 KDM4C (0.38) KDM4CALDH1A1TSHRGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560929-B1 PROCESS FOR PREPARING 6,7-UNSATURATED-7-CARBAMOYL MORPHINANE DERIVATIVE, AND INTERMEDIATE SHIONOGI & CO (JP) 2021-05-19 EP disclosed
EP-3560929-A2 CRYSTALLINE 6,7-UNSATURATED-7-CARBAMOYL MORPHINANE DERIVATIVE, AND METHOD FOR PRODUCING SAME Shionogi & Co., Ltd (JP) 2019-10-30 EP disclosed
EP-2639234-B1 CRYSTALLINE 6,7-UNSATURATED-7-CARBAMOYL MORPHINANE DERIVATIVE, AND METHOD FOR PRODUCING SAME SHIONOGI & CO (JP) 2019-07-03 EP disclosed
CN-109415355-A Benzdioxan derivative and its medicinal usage 奥赖恩公司 2019-03-01 CN disclosed
US-9951082-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-9951082-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-04-24 US disclosed
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2018-03-15 US disclosed
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SHIONOGI & CO., LTD. (JP) 2018-03-15 US disclosed
US-9902732-B2 Crystal of 6,7-unsaturated-7-carbamoyl morphinan derivative and method for producing the same SHIONOGI & CO., LTD. (JP) 2018-02-27 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-6962937-B2 Imidazolidine derivatives, their preparation and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-11-08 US disclosed
EP-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1414444-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2004-05-06 EP disclosed
US-6680333-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIALLERGENS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-20 US disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-12 US disclosed
US-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-04-17 US disclosed
WO-2003011288-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-13 WO disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 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 (3 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-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them VCAM1, ITGA4, ITGA1 KDM4C 2162/4885ALDH1A1 594/4885TSHR 495/4885
US-20180072748-A1 CRYSTAL OF 6,7-UNSATURATED-7-CARBAMOYL MORPHINAN DERIVATIVE AND METHOD FOR PRODUCING THE SAME FASN, ALOX5, CASP7 KDM4C 3486/4885ALDH1A1 1010/4885TSHR 4577/4885
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use VCAM1, ITGA1, ITGA4 KDM4C 2032/4885ALDH1A1 819/4885TSHR 420/4885

“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.