SCHEMBL765249

SCHEMBL765249

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
SSTR3 P32745 6/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
ATM Q13315 1/20 0.45
CCR2 P41597 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSK P43235 1/20 0.43
PDE4B Q07343 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.43
FUCA1 P04066 1/20 0.43

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
SCHEMBL4083289 1.00 KMT2A (0.53) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL23153407 1.00 KMT2A (0.53) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL29761166 0.97 KMT2A (0.56) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL25694331 0.85 KMT2A (0.51) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL4033681 0.85 CPB1 (0.54) KMT2AL3MBTL1ALDH1A1CTSKPDE4B
SCHEMBL29722776 0.84 SSTR3 (0.46) KMT2AL3MBTL1SSTR3KDM1AMAOB
SCHEMBL19569624 0.84 KMT2A (0.61) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL4066257 0.82 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBALDH1A1
SCHEMBL4066261 0.82 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBALDH1A1
SCHEMBL4066265 0.82 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 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-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 KMT2A 1593/4885L3MBTL1 712/4885CA12 2960/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 KMT2A 1593/4885L3MBTL1 712/4885CA12 2960/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 KMT2A 980/4885L3MBTL1 931/4885CA12 3724/4885

“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.