SCHEMBL402273

SCHEMBL402273

CCOC(=O)C1CCN(c2ccc(N)c(C(=O)N(C)C)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.70
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
PDK2 Q15119 1/20 0.48
SHMT2 P34897 1/20 0.47
KDM4E B2RXH2 2/20 0.45
F10 P00742 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL400816 0.83 MAPT (0.79) LGMNALDH1A1MAPTPDK2POLB
SCHEMBL38658281 0.81 LGMN (0.76) LGMNALDH1A1MAPTPDK2SHMT2
SCHEMBL27543 0.78 LGMN (0.70) LGMNALDH1A1MAPTPDK2SHMT2
SCHEMBL655166 0.77 LGMN (0.70) LGMNALDH1A1MAPTPDK2SHMT2
SCHEMBL21533588 0.77 LGMN (0.69) LGMNALDH1A1MAPTPDK2KDM4E
SCHEMBL15850037 0.75 MAPT (0.71) LGMNALDH1A1MAPTPDK2KDM4E
SCHEMBL6499815 0.75 TSHR (0.66) LGMNALDH1A1MAPTPDK2KDM4E
SCHEMBL21533589 0.75 LGMN (0.66) LGMNALDH1A1MAPTPDK2KDM4E
SCHEMBL20495080 0.74 LGMN (0.65) LGMNALDH1A1MAPTPDK2SHMT2
SCHEMBL6510233 0.74 LGMN (0.59) LGMNALDH1A1MAPTPDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (1 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA LGMN 1963/4885ALDH1A1 421/4885MAPT 3451/4885

“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.