SCHEMBL294988

SCHEMBL294988

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA14 Q9ULX7 2/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
DGAT1 O75907 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PDK2 Q15119 1/20 0.32
ASGR1 P07306 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA12 O43570 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
SCHEMBL28917456 0.92 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL3414844 0.83 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL10260946 0.81 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL15085762 0.81 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL5546669 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL14157466 0.79 CA14 (0.42) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL3315785 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL20237062 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL24106653 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CACNA1G
SCHEMBL14443433 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067355-B1 CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION METHOD FOR CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE MEIJI SEIKA PHARMA CO LTD (JP) 2020-12-16 EP claimed
CN-111153903-A Crystal of diazabicyclooctane derivative, preparation method and application thereof, and pharmaceutical composition 明治制果药业株式会社 2020-05-15 CN claimed
EP-3050883-B1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVES AND INTERMEDIATES MEIJI SEIKA PHARMA CO LTD (JP) 2020-04-22 EP claimed
US-10604522-B2 Processes for producing diazabicyclooctane compounds MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-03-31 US claimed
EP-3613741-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP claimed
EP-3613740-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP claimed
US-20190031659-A1 PROCESSES FOR PRODUCING DIAZABICYCLOOCTANE COMPOUNDS MEIJI SEIKA PHARMA CO., LTD. (JP) 2019-01-31 US claimed
US-10131665-B2 Processes for producing diazabicyclooctane compounds MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-11-20 US claimed
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US claimed
CN-105555787-B Process for preparation of diazabicyclooctane derivatives and intermediates therefor 明治制果药业株式会社 2017-08-08 CN claimed
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders BATTISTA KATHLEEN 2006-02-09 US claimed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP claimed
CN-1694883-A Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN claimed
US-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-07-22 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders OPRL1, GPR4, ADRA1D HDAC6 1153/4885HDAC1 751/4885HDAC2 1440/4885
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, ADRA1D, OPRD1 HDAC6 1358/4885HDAC1 695/4885HDAC2 1605/4885
US-10604522-B2 Processes for producing diazabicyclooctane compounds DHCR7, C9, CYCS HDAC6 2499/4885HDAC1 2044/4885HDAC2 2372/4885
US-20190031659-A1 PROCESSES FOR PRODUCING DIAZABICYCLOOCTANE COMPOUNDS DHCR7, C9, CYCS HDAC6 2499/4885HDAC1 2044/4885HDAC2 2372/4885
US-10131665-B2 Processes for producing diazabicyclooctane compounds DDT, ODC1, CYP51A1 HDAC6 2174/4885HDAC1 3136/4885HDAC2 3326/4885
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof CLCN2, ODC1, KCNN4 HDAC6 1990/4885HDAC1 1734/4885HDAC2 1614/4885

“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.