SCHEMBL765476

SCHEMBL765476

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
BTK Q06187 1/20 0.43
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.35
KDM1A O60341 2/20 0.35
CTSL P07711 1/20 0.34
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL19009055 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL5584206 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL10476723 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL10476639 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL1503743 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL3341366 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL4101762 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL3341364 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL5902017 0.90 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL4266514 0.89 BTK (0.40) KMT2AALDH1A1MEN1TSHRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011823-A1 SALT OF AMINE-PROTECTED (1S,2R,4S)-1,2-AMINO-N,N-DIMETHYLCYCLOHEXANE-4-CARBOXAMIDE MYLAN LABORATORIES LIMITED (IN) 2018-01-18 WO disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US 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
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (7 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 KMT2A 1593/4885ALDH1A1 2105/4885MEN1 208/4885
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 KMT2A 3495/4885ALDH1A1 3430/4885MEN1 726/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3485/4885ALDH1A1 3319/4885MEN1 457/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885ALDH1A1 3319/4885MEN1 457/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885ALDH1A1 3319/4885MEN1 457/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KMT2A 3461/4885ALDH1A1 3734/4885MEN1 602/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 KMT2A 980/4885ALDH1A1 2109/4885MEN1 226/4885

“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.