SCHEMBL10132710

SCHEMBL10132710

CCC[C@@H](OC[C@H]1CO1)c1cc(F)ccc1/C=C/C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
MGLL Q99685 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL6741770 1.00 ESR1 (0.39) ESR1MGLLIDO1TDO2TTR
SCHEMBL6742694 0.92 MGLL (0.39) ESR1MGLLIDO1TDO2TTR
SCHEMBL6741720 0.89 ESR1 (0.39) ESR1MGLLTTRDPP4CA12
SCHEMBL10132748 0.89 ESR1 (0.39) ESR1MGLLTTRDPP4CA12
SCHEMBL17226927 0.88 MGLL (0.41) ESR1MGLLIDO1TDO2TTR
SCHEMBL2478850 0.88 MGLL (0.41) ESR1MGLLIDO1TDO2TTR
SCHEMBL12202219 0.87 MGLL (0.44) ESR1MGLLTTRDPP4CA12
SCHEMBL6742853 0.87 MGLL (0.44) ESR1MGLLTTRDPP4CA12
SCHEMBL6741889 0.86 MGLL (0.39) ESR1MGLLTTRDPP4CA12
SCHEMBL10132727 0.86 MGLL (0.39) ESR1MGLLTTRDPP4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 ESR1 553/4885MGLL 2051/4885IDO1 1647/4885

“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.