SCHEMBL6152170

SCHEMBL6152170

CN1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42

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
SCHEMBL27432720 0.94 CACNA2D1 (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL5573169 0.94 HPGD (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL27308696 0.93 CACNA2D1 (0.47) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL20873854 0.92 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL25696102 0.89 HPGD (0.46) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL27007016 0.88 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL4093887 0.88 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1997815 0.88 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1100404 0.88 CNR1 (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL20873836 0.88 CNR1 (0.51) HPGDKDM4EPKMRECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 WO disclosed
CN-109970743-B 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
US-20210196710-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-07-01 US disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-25 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
EP-3145929-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HPGD 2376/4885KDM4E 708/4885PKM 447/4885
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HPGD 2376/4885KDM4E 708/4885PKM 447/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HPGD 2376/4885KDM4E 708/4885PKM 447/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HPGD 2376/4885KDM4E 708/4885PKM 447/4885
US-20210196710-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, KLK3, ACP3 HPGD 542/4885KDM4E 1417/4885PKM 1821/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HPGD 2376/4885KDM4E 708/4885PKM 447/4885
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 HPGD 1642/4885KDM4E 470/4885PKM 3864/4885

“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.