SCHEMBL14514596

SCHEMBL14514596

CC(C)(C)OC(=O)N1CCc2[nH]c(CO)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 3/20 0.51
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.41
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ADORA1 P30542 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
UCHL1 P09936 1/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL27108600 0.89 NR1H2 (0.53) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL978367 0.82 ESR2 (0.54) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL14514595 0.80 ESR2 (0.52) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL19657869 0.79 ESR2 (0.51) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL4739688 0.79 ESR2 (0.51) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL27108601 0.79 NR1H2 (0.53) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL976854 0.79 ADORA1 (0.48) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL14515072 0.78 ESR2 (0.46) ESR2NR1H2MAPK1MAPTNAMPT
SCHEMBL1039549 0.77 ESR2 (0.57) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL10208240 0.76 ESR2 (0.48) ESR2NR1H2MAPK1MAPTDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ESR2 169/4885NR1H2 1039/4885MAPK1 2378/4885

“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.