SCHEMBL15464848

SCHEMBL15464848

Cn1nccc1C1=CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
COMT P21964 1/20 0.40
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.33
HDAC4 P56524 1/20 0.32
USP7 Q93009 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 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
SCHEMBL15950989 0.70 COMT (0.60) COMTLATS1LATS2ALDH1A1MAPT
SCHEMBL15465205 0.67 CYP17A1 (0.35) CYP17A1COMTLATS1LATS2ALDH1A1
SCHEMBL15465534 0.67 COMT (0.41) COMTALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL15465668 0.66 CYP17A1 (0.34) CYP17A1COMTLATS1
SCHEMBL15464939 0.65 COMT (0.36) CYP17A1COMTLATS1LATS2ALDH1A1
SCHEMBL19055021 0.63 COMT (0.41) COMTLATS1LATS2ALDH1A1MAPT
SCHEMBL15464813 0.62 HDAC4 (0.40) CYP17A1COMTLATS1LATS2ALDH1A1
SCHEMBL32682554 0.62 COMT (0.34) COMTLATS1LATS2
SCHEMBL15465265 0.61 COMT (0.36) CYP17A1COMTLATS1LATS2ALDH1A1
SCHEMBL15464807 0.61 BUB1 (0.36) CYP17A1COMTLATS1LATS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (2 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-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A CYP17A1 2473/4885COMT 4364/4885LATS1 2917/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A CYP17A1 2473/4885COMT 4364/4885LATS1 2917/4885

“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.