SCHEMBL1503868

SCHEMBL1503868

CC(C)(C)OC(=O)N[C@@H]1CNCC[C@H]1N(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKT1 P31749 3/20 0.45
CTSD P07339 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
EPHX2 P34913 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
REN P00797 1/20 0.41
SSTR4 P31391 3/20 0.40
SSTR1 P30872 2/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
KCNA3 P22001 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1503870 1.00 KMT2A (0.45) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1504079 1.00 KMT2A (0.45) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1504083 1.00 KMT2A (0.45) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1503893 0.85 AKT1 (0.43) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1503748 0.85 AKT1 (0.43) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1503750 0.85 AKT1 (0.43) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL1503890 0.85 AKT1 (0.43) KMT2AL3MBTL1AKT1CTSDKDM1A
SCHEMBL4262520 0.80 CPB1 (0.48) KMT2AL3MBTL1CTSLSSTR4SSTR1
SCHEMBL210981 0.80 CPB1 (0.48) KMT2AL3MBTL1CTSLSSTR4SSTR1
SCHEMBL4262525 0.80 CPB1 (0.48) KMT2AL3MBTL1CTSLSSTR4SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3179/4885L3MBTL1 309/4885AKT1 3451/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885L3MBTL1 385/4885AKT1 3643/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KMT2A 1453/4885L3MBTL1 4055/4885AKT1 3549/4885

“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.