SCHEMBL3414844

SCHEMBL3414844

[CH2]CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.35
GBA1 P04062 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
CTSK P43235 3/20 0.32
AAK1 Q2M2I8 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL5546669 0.88 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL10260946 0.87 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL1109858 0.85 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL294988 0.83 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL12670076 0.81 AAK1 (0.36) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL1712653 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL7905771 0.81 CA14 (0.44) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL14157484 0.81 CA14 (0.47) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL98924 0.81 CHRNB2 (0.44) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL19699862 0.81 CHRM2 (0.39) HDAC6HDAC1HDAC2CA14PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620870-B Compound and application thereof in expansion of hematopoietic stem cells and/or hematopoietic progenitor cells 蒙特利尔大学 2023-01-03 CN disclosed
US-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-08-05 US disclosed
US-10947315-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-03-16 US disclosed
CN-111620870-A Compound and application thereof in expansion of hematopoietic stem cells and/or hematopoietic progenitor cells 蒙特利尔大学 2020-09-04 CN disclosed
CN-106414445-B Compound and application thereof in expansion of hematopoietic stem cells and/or hematopoietic progenitor cells 蒙特利尔大学 2020-07-03 CN disclosed
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-12 US disclosed
US-10208127-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-02-19 US disclosed
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2018-12-13 US disclosed
EP-3100745-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2018-04-18 EP disclosed
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-03-22 US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 US disclosed
WO-2010091150-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2010-08-12 WO disclosed
CN-1538951-A Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of chemotaxis of polymorphonucleate and mononucleate cells ��ķ�ɷ����޹�˾ 2004-10-20 CN disclosed
CN-1107151-A Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders SANKYO CO (JP) 1995-08-23 CN disclosed
CN-1028527-C Process for preparing coumarin derivatives SANKYO CO (JP) 1995-05-24 CN disclosed
CN-1026892-C New amino acid derivatives, process for preparation thereof and pharmaceutical composition comprising same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-07 CN disclosed
CN-1074214-A The preparation method of isoquinoline sulfone amide derivative JOHNSON MATTHEY PLC (JP) 1993-07-14 CN disclosed
CN-1049662-A Coumarin derivative, preparation thereof and application thereof in treating cerebrovascular disorder SANKYO CO (JP) 1991-03-06 CN disclosed
CN-1044098-A Compounds with vascular smooth muscle relaxing activity HIDAKA HIROYOSHI (JP) 1990-07-25 CN disclosed
CN-1030411-A New amino acid derivatives, its preparation method and contain its pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1989-01-18 CN 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-20210238301-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC6 405/4885HDAC1 849/4885HDAC2 719/4885
US-20180355055-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC6 405/4885HDAC1 849/4885HDAC2 719/4885
US-10208127-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 HDAC6 464/4885HDAC1 935/4885HDAC2 795/4885
US-20190276552-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC6 405/4885HDAC1 849/4885HDAC2 719/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC6 405/4885HDAC1 849/4885HDAC2 719/4885
US-10947315-B2 Benzodiazepine derivatives GABBR1, GABRB1, GABRA1 HDAC6 464/4885HDAC1 935/4885HDAC2 795/4885
US-20180079823-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 HDAC6 405/4885HDAC1 849/4885HDAC2 719/4885

“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.