SCHEMBL2861902

SCHEMBL2861902

O=C(O)CN1CCCN(C2CCN(C(=O)OC(=O)c3ccccc3)CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.40
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
ACE P12821 7/20 0.38
F10 P00742 4/20 0.37
F2 P00734 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3534026 0.83 SMN1; SMN2 (0.55) KMT2ACYP2D6CYP2C19POLBCYP2C9
SCHEMBL5498853 0.76 L3MBTL1 (0.40) KMT2AL3MBTL1L3MBTL3MEN1HDAC1
SCHEMBL2861163 0.74 SMN1; SMN2 (0.57) KMT2ACYP2D6CYP2C19CYP2C9MEN1
SCHEMBL2859914 0.74 SMN1; SMN2 (0.53) KMT2ACYP2D6CYP2C19CYP2C9L3MBTL1
SCHEMBL2855569 0.73 L3MBTL1 (0.39) KMT2AL3MBTL1L3MBTL3MEN1HDAC1
SCHEMBL5499269 0.73 L3MBTL1 (0.39) KMT2AL3MBTL1L3MBTL3MEN1HDAC1
SCHEMBL7049415 0.72 SMN1; SMN2 (0.50) KMT2ACYP2D6CYP2C19CYP2C9L3MBTL1
SCHEMBL5866434 0.72 SMN1; SMN2 (0.50) KMT2ACYP2D6CYP2C19CYP2C9MEN1
SCHEMBL2860475 0.72 SMN1; SMN2 (0.50) KMT2ACYP2C19L3MBTL1MEN1HDAC1
SCHEMBL5866430 0.72 SMN1; SMN2 (0.55) KMT2ACYP2D6CYP2C19CYP2C9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 EP disclosed
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 EP disclosed
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-10-18 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 (4 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-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 PER2 1949/4885KMT2A 2468/4885CYP2D6 295/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 PER2 1914/4885KMT2A 1597/4885CYP2D6 437/4885
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, CNR2 PER2 2069/4885KMT2A 2491/4885CYP2D6 324/4885
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 PER2 1949/4885KMT2A 2468/4885CYP2D6 295/4885

“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.