Sugi Predict

Sugi Predict / Compounds / SCHEMBL2855878

SCHEMBL2855878

SCHEMBL2855878

CN1CCN(C2CCNCC2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ PARP1 P09874 1/20 0.37
▸ PDE7A Q13946 2/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ HTR2C P28335 6/20 0.33
▸ HTR2B P41595 5/20 0.33
▸ PLG P00747 1/20 0.33
▸ AOC3 Q16853 1/20 0.32
▸ HTR2A P28223 4/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL25045333 0.87 PDE7A (0.40) PDE7AHTR2CHTR2BAOC3HTR2A
SCHEMBL8341378 0.83 PARP2 (0.42) TP53PARP1PDE7AHTR2CHTR2B
SCHEMBL12697804 0.83 PDE7A (0.43) TP53PDE7A
SCHEMBL10114257 0.81 HTR2A (0.31) PDE7AHTR2CHTR2BHTR2A
SCHEMBL14490260 0.80 PKM (0.39) TP53PDE7AAOC3ACHE
SCHEMBL852749 0.79 MAPK1 (0.40) PDE7AAOC3ACHE
SCHEMBL852748 0.79 MAPK1 (0.40) PDE7AAOC3ACHE
Hydrochloric Acid SCHEMBL27993842 0.77 MAPK1 (0.39) PDE7AAOC3ACHE
SCHEMBL14900009 0.77 CHRM2 (0.38) PDE7AAOC3ACHE
SCHEMBL1161225 0.76 PARP2 (0.43) PARP1PDE7AAOC3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 — — US disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 — — US disclosed
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-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-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 — — 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
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 — — US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 — — 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 (7 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 TP53 4715/4885PARP1 1753/4885PDE7A 2929/4885
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 TP53 2034/4885PARP1 2624/4885PDE7A 3640/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 TP53 4724/4885PARP1 1805/4885PDE7A 2414/4885
US-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 TP53 2626/4885PARP1 2198/4885PDE7A 937/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 TP53 2034/4885PARP1 2624/4885PDE7A 3640/4885
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 TP53 4677/4885PARP1 1790/4885PDE7A 2949/4885
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 TP53 4715/4885PARP1 1753/4885PDE7A 2929/4885

“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.