SCHEMBL15465627

SCHEMBL15465627

Cn1cncc1C1=CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
HPGDS O60760 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
LDLR P01130 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
CHRM5 P08912 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
SCHEMBL11502520 0.70 MAPT (0.41) CYP3A4
SCHEMBL277115 0.64 GSTP1 (0.37) CYP3A4
SCHEMBL11668202 0.62 PPARA (0.47) CYP3A4
SCHEMBL11624223 0.61 CYP11B2 (0.36) IDO1HPGDSPRMT5WDR77
SCHEMBL4273597 0.61 MAPT (0.32)
SCHEMBL1737418 0.61 IDO1 (0.34) IDO1PLK1CSNK2A1PLK3
SCHEMBL5791186 0.60 BRD4 (0.41) CYP2D6
SCHEMBL8309049 0.59 BRD4 (0.37)
SCHEMBL1943625 0.59 BACE1 (0.39) CYP3A4
SCHEMBL24351312 0.58

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 IDO1 2804/4885HPGDS 129/4885PLK1 3877/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A IDO1 2804/4885HPGDS 129/4885PLK1 3877/4885

“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.