SCHEMBL15464807

SCHEMBL15464807

Cn1nccc1C1=CCC(C)(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
COMT P21964 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OTUD7B Q6GQQ9 3/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP17A1 P05093 1/20 0.31
LATS1 O95835 3/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP2C19 P33261 2/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL15465127 0.78 COMT (0.38) BUB1COMTKDM4EOTUD7BALDH1A1
SCHEMBL15465265 0.70 COMT (0.36) BUB1COMTKDM4EOTUD7BALDH1A1
SCHEMBL15465213 0.66 HDAC4 (0.36) COMTKDM4EOTUD7BALDH1A1NPC1
SCHEMBL15950989 0.65 COMT (0.60) COMTKDM4EALDH1A1NPC1LMNA
SCHEMBL15465668 0.65 CYP17A1 (0.34) COMTCYP17A1LATS1
SCHEMBL23666129 0.61 MAPT (0.32) GAAALDH1A1CYP2C19MAPTCYP1A2
SCHEMBL15464848 0.61 CYP17A1 (0.41) COMTKDM4EALDH1A1NPC1LMNA
SCHEMBL16572379 0.61 HSD11B1 (0.38) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL29132897 0.60 COMT (0.46) COMTKDM4EGAAALDH1A1NPC1
SCHEMBL11618552 0.59 ALDH1A1 (0.36) KDM4EGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2974730-B1 DRUG FOR RESPIRATORY DISEASES DAIICHI SANKYO CO LTD (JP) 2018-01-31 EP disclosed
EP-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 US disclosed
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 EP disclosed
US-9597330-B2 Drugs for treating respiratory diseases DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-21 US disclosed
US-20170001984-A1 CYCLOALKANE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-05 US disclosed
US-9493448-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-11-15 US disclosed
EP-2813491-B1 CYCLOALKANE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-02 EP disclosed
US-20160038486-A1 DRUG FOR RESPIRATORY DISEASES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-11 US disclosed
EP-2974730-A1 DRUG FOR RESPIRATORY DISEASES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 EP disclosed
EP-2813491-A1 CYCLOALKANE DERIVATIVE Daiichi Sankyo Co., Ltd. (JP) 2014-12-17 EP disclosed
US-8889741-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-11-18 US disclosed
US-20140045862-A1 Cycloalkane Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-13 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 (3 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-20160038486-A1 DRUG FOR RESPIRATORY DISEASES SCN1B, NHERF1, SCNN1A BUB1 3355/4885COMT 3656/4885KDM4E 4838/4885
US-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A BUB1 3518/4885COMT 4364/4885KDM4E 4789/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A BUB1 3518/4885COMT 4364/4885KDM4E 4789/4885

“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.