SCHEMBL15464813

SCHEMBL15464813

Cn1nccc1C1=CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
COMT P21964 1/20 0.37
TRPV3 Q8NET8 1/20 0.34
USP30 Q70CQ3 1/20 0.32
LATS1 O95835 4/20 0.32
CYP17A1 P05093 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5 P09917 1/20 0.31
LATS2 Q9NRM7 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL13920696 0.79 HDAC4 (0.36) HDAC4COMTLATS1CYP17A1ALDH1A1
SCHEMBL15465534 0.70 COMT (0.41) HDAC4COMTALDH1A1MAPTCYP1A2
SCHEMBL27217329 0.67 TRPV3 (0.35) TRPV3
SCHEMBL28671291 0.67 TRPV3 (0.35) TRPV3
SCHEMBL15950989 0.66 COMT (0.60) COMTLATS1ALDH1A1MAPTCYP1A2
SCHEMBL30231043 0.66 COMT (0.35) COMT
SCHEMBL24260966 0.65 COMT (0.42) HDAC4COMTALDH1A1MAPTCYP1A2
SCHEMBL30287558 0.64 HDAC4 (0.33) HDAC4COMTUSP30
SCHEMBL34470028 0.64 BRD4 (0.34) TBK1
SCHEMBL15465213 0.64 HDAC4 (0.36) HDAC4COMTUSP30LATS1ALDH1A1

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 HDAC4 1862/4885COMT 3656/4885TRPV3 108/4885
US-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A HDAC4 2808/4885COMT 4364/4885TRPV3 10/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A HDAC4 2808/4885COMT 4364/4885TRPV3 10/4885

“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.