SCHEMBL10015599

SCHEMBL10015599

CN(C)C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL12508020 0.87 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL764528 0.87 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL12507941 0.87 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084798 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084796 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084799 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084797 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL15078163 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084801 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084800 0.86 BTK (0.46) BTKKDM1AMAOBMAOANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 — — EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 — — EP disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 — — US disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 — — US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 — — US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 — — US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 — — US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 — — US disclosed
US-8901345-B2 Process for preparation of optically active diamine derivative salt DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 — — US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 — — US disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 — — US disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 — — US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 — — US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 — — US disclosed
EP-2407450-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-18 — — 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 (5 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-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F7, MAOA, F13A1 BTK 635/4885KDM1A 399/4885MAOB 39/4885
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE TFPI, TFPI2, DAO BTK 257/4885KDM1A 507/4885MAOB 46/4885
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT TFPI, F12, TFPI2 BTK 235/4885KDM1A 317/4885MAOB 142/4885
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 BTK 2151/4885KDM1A 1199/4885MAOB 96/4885
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE F12, DAO, TFPI BTK 893/4885KDM1A 158/4885MAOB 113/4885

“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.

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