SCHEMBL15464745

SCHEMBL15464745

O[C@H]1CCC[C@@H]1c1ccn(C2CCCCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.40
IDH1 O75874 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 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
SCHEMBL15465167 1.00 CD274 (0.40) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL30210888 0.81 CD274 (0.39) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL26114225 0.80 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL21334779 0.78 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL20519493 0.78 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL28883871 0.77 CD274 (0.44) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL20519332 0.74 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL20519334 0.74 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL30107317 0.74 CD274 (0.42) CD274IDH1CYP4F2CYP4A11MEN1
SCHEMBL15465894 0.74 TACR1 (0.37) CD274CYP4F2CYP4A11

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 CD274 4868/4885IDH1 1986/4885CYP4F2 1449/4885
US-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A CD274 4577/4885IDH1 3470/4885CYP4F2 2573/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A CD274 4577/4885IDH1 3470/4885CYP4F2 2573/4885

“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.