SCHEMBL4089754

SCHEMBL4089754

CN(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
AKT1 P31749 3/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
PDE4B Q07343 1/20 0.43
SSTR3 P32745 1/20 0.41
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CACNA1B Q00975 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL764517 1.00 SLC18A3 (0.52) SLC18A3L3MBTL1KMT2AJAK2JAK1
SCHEMBL23153406 0.87 KMT2A (0.48) SLC18A3L3MBTL1KMT2AJAK2JAK1
SCHEMBL17007303 0.87 KMT2A (0.53) L3MBTL1KMT2AJAK2JAK1AKT1
SCHEMBL30440675 0.84 KMT2A (0.47) SLC18A3L3MBTL1KMT2AJAK2JAK1
SCHEMBL26153431 0.82 KMT2A (0.50) SLC18A3L3MBTL1KMT2AJAK2JAK1
SCHEMBL30441038 0.82 KMT2A (0.50) SLC18A3L3MBTL1KMT2AJAK2JAK1
SCHEMBL30441434 0.80 KMT2A (0.48) L3MBTL1KMT2AJAK2JAK1AKT1
SCHEMBL31716021 0.80 KMT2A (0.58) L3MBTL1KMT2AJAK2JAK1AKT1
SCHEMBL3206911 0.79 KMT2A (0.54) L3MBTL1KMT2AJAK2JAK1AKT1
SCHEMBL3206908 0.79 KMT2A (0.54) L3MBTL1KMT2AJAK2JAK1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP 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-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 SLC18A3 4143/4885L3MBTL1 712/4885KMT2A 1593/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SLC18A3 4143/4885L3MBTL1 712/4885KMT2A 1593/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SLC18A3 4023/4885L3MBTL1 931/4885KMT2A 980/4885

“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.