SCHEMBL3371289

SCHEMBL3371289

CCOC(=O)C1CCC(O)C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
BTK Q06187 1/20 0.41
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
KDM1A O60341 2/20 0.36
CTSL P07711 1/20 0.35
MAPT P10636 2/20 0.34
EPHX1 P07099 1/20 0.34
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL14559241 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL3371291 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL12101151 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL715066 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL740803 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL24335401 1.00 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL29591927 0.90 ALDH1A1 (0.48) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL22645691 0.89 MEN1 (0.47) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL22645692 0.89 MEN1 (0.47) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL31601194 0.89 MEN1 (0.47) ALDH1A1MEN1TSHRKMT2ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583900-A Preparation method of high-purity ixaban intermediate 张邦成都生物医药科技有限公司 2023-01-10 CN disclosed
EP-3395814-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2022-04-06 EP disclosed
CN-110028491-B Fibroblast growth factor receptor inhibitors 缆图药品公司 2022-02-11 CN disclosed
CN-108486197-B Preparation method of high-purity edoxaban intermediate 爱斯特(成都)生物制药股份有限公司 2021-10-22 CN disclosed
CN-107721866-B Preparation method of edoxaban intermediate 爱斯特(成都)生物制药股份有限公司 2020-09-04 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
JP-2007106759-A OPTICALLY ACTIVE DIAMINE DERIVATIVE AND METHOD FOR PRODUCING THE SAME DAI ICHI SEIYAKU CO LTD 2007-04-26 JP disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL ALDH1A1 3214/4885MEN1 322/4885TSHR 312/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 ALDH1A1 3430/4885MEN1 726/4885TSHR 299/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 ALDH1A1 3454/4885MEN1 989/4885TSHR 186/4885

“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.