SCHEMBL2852528

SCHEMBL2852528

CNC(=O)CN1CCCN(C2CCNCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
PER2 O15055 5/20 0.36
TP53 P04637 1/20 0.36
OPRL1 P41146 6/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 4/20 0.34
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2856411 0.83 ACE (0.46) ITGB3ITGA2BPER2TP53LMNA
SCHEMBL2855114 0.82 TSHR (0.44) TACR2TACR1TACR3PER2TP53
SCHEMBL7044947 0.82 PER2 (0.36) ITGB3ITGA2BPER2TP53
SCHEMBL5866444 0.80 POLB (0.41) PER2TP53OPRL1OPRM1
SCHEMBL5866429 0.79 HPGD (0.51) PER2TP53GAALMNA
SCHEMBL5866391 0.79 TP53 (0.41) PER2TP53
SCHEMBL2855287 0.73 TP53 (0.37) PER2TP53
SCHEMBL2865250 0.70 HTR2C (0.39) TP53
SCHEMBL8417910 0.68 L3MBTL1 (0.34) OPRL1GAAOPRM1LMNA
SCHEMBL27689294 0.68 PER2 (0.38) PER2TP53GAA

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 19 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-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
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-6444809-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2002-09-03 US disclosed
CN-1077573-C Heterocycles useful as neurokinin antagonists ZENCA LTD (GB) 2002-01-09 CN disclosed
US-6124279-A NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS ZENECA LIMITED (GB) 2000-09-26 US disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
EP-0714392-B1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1998-11-04 EP disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
CN-1129449-A Heterocycles useful as neurokinin antagonists ZENCA LIMITED (GB) 1996-08-21 CN disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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 (5 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 ITGB3 1011/4885ITGA2B 2350/4885TACR2 229/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 ITGB3 1315/4885ITGA2B 2147/4885TACR2 155/4885
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 ITGB3 1037/4885ITGA2B 2263/4885TACR2 251/4885
US-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 ITGB3 2791/4885ITGA2B 1595/4885TACR2 3/4885
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 ITGB3 1011/4885ITGA2B 2350/4885TACR2 229/4885

“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.