SCHEMBL196593

SCHEMBL196593

CCC(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 1/20 0.54
BLM P54132 1/20 0.50
PIK3CD O00329 1/20 0.48
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 2/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA7 P36544 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL22916913 0.93 TDP1 (0.48) TDP1CYP1A2BLMPIK3CDALDH1A1
SCHEMBL180620 0.89
SCHEMBL20756575 0.89 BLM (0.57) TDP1BLMALDH1A1KDM4ESMN1; SMN2
SCHEMBL2739418 0.89 BLM (0.57) TDP1BLMALDH1A1KDM4ESMN1; SMN2
SCHEMBL23818381 0.83 BLM (0.48) TDP1BLMALDH1A1KDM4ESMN1; SMN2
SCHEMBL21765879 0.82 L3MBTL1 (0.56) TDP1BLMALDH1A1SMN1; SMN2CHRNB2
SCHEMBL12457130 0.81 TDP1 (0.50) TDP1CYP1A2PIK3CDALDH1A1KDM4E
SCHEMBL26510144 0.81 BLM (0.47) TDP1BLMALDH1A1KDM4ESMN1; SMN2
SCHEMBL37407 0.81
SCHEMBL860793 0.81 CYP1A2 (0.77) TDP1CYP1A2PIK3CDALDH1A1KDM4E

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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
JP-2012500285-A 2012-01-05 JP claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
WO-2023107606-A1 BCL-XL/BCL-2 DUAL DEGRADERS FOR TREATMENT OF CANCERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-15 WO disclosed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2020-09-08 US disclosed
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate RAJASEKHAR VIJAYKUMAR (US) 2019-11-05 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 (12 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-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA TDP1 2053/4885CYP1A2 182/4885BLM 1046/4885
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD TDP1 1742/4885CYP1A2 991/4885BLM 3612/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TDP1 2495/4885CYP1A2 3547/4885BLM 2725/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR TDP1 2365/4885CYP1A2 758/4885BLM 1074/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TDP1 2495/4885CYP1A2 3547/4885BLM 2725/4885
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications DCK, TK1, DTYMK TDP1 480/4885CYP1A2 4286/4885BLM 1437/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 TDP1 1050/4885CYP1A2 474/4885BLM 2332/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TDP1 2044/4885CYP1A2 260/4885BLM 2217/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE TDP1 2495/4885CYP1A2 3547/4885BLM 2725/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TDP1 2495/4885CYP1A2 3547/4885BLM 2725/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA TDP1 2053/4885CYP1A2 182/4885BLM 1046/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TDP1 2495/4885CYP1A2 3547/4885BLM 2725/4885

“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.