SCHEMBL1973195

SCHEMBL1973195

O=C1CCCCN1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
SIGMAR1 Q99720 4/20 0.55
ACHE P22303 1/20 0.54
MCHR1 Q99705 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MC4R P32245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 1/20 0.46
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2859977 0.95 SIGMAR1 (0.56) L3MBTL1SIGMAR1ACHELMNAPOLB
SCHEMBL1971476 0.78 SIGMAR1 (0.53) SIGMAR1LMNAPOLBKMT2AMEN1
SCHEMBL27611295 0.77 SIGMAR1 (0.72) SIGMAR1LMNAPOLBHRH3KMT2A
SCHEMBL2856259 0.77 MC4R (0.53) SIGMAR1LMNAPOLBMC4RALDH1A1
SCHEMBL4055438 0.76 HRH3 (0.59) L3MBTL1SIGMAR1ACHEMCHR1LMNA
SCHEMBL7627419 0.75 ACHE (0.68) L3MBTL1ACHEMCHR1HRH3KMT2A
SCHEMBL11172583 0.74 HRH3 (0.57) L3MBTL1SIGMAR1ACHEMCHR1LMNA
SCHEMBL13952 0.74 SIGMAR1 (0.81) L3MBTL1SIGMAR1ACHELMNAPOLB
SCHEMBL1777747 0.74 SIGMAR1 (0.81) L3MBTL1SIGMAR1ACHELMNAPOLB
SCHEMBL8188324 0.74 SIGMAR1 (1.00) SIGMAR1ACHELMNAPOLBKMT2A

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 11 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-1748985-B1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL (JP) 2011-06-22 EP 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-7745623-B2 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) 2010-06-29 US 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
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 EP disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 WO 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 L3MBTL1 3083/4885SIGMAR1 59/4885ACHE 4857/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 L3MBTL1 4042/4885SIGMAR1 42/4885ACHE 4576/4885
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 L3MBTL1 3032/4885SIGMAR1 74/4885ACHE 4861/4885
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 L3MBTL1 3083/4885SIGMAR1 59/4885ACHE 4857/4885

“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.