SCHEMBL2477015

SCHEMBL2477015

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ESR1 P03372 2/20 0.38
TTR P02766 1/20 0.38
DPP4 P27487 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10151059 1.00 MGLL (0.41) MGLLIDO1TDO2ESR1TTR
SCHEMBL2478850 0.95 MGLL (0.41) MGLLIDO1TDO2ESR1TTR
SCHEMBL17226927 0.95 MGLL (0.41) MGLLIDO1TDO2ESR1TTR
SCHEMBL6742026 0.90 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL2476675 0.90 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL10151369 0.90 MGLL (0.41) MGLLESR1TTRDPP4CA12
SCHEMBL2481304 0.88 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL10166265 0.88 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL6742025 0.88 MGLL (0.40) MGLLESR1TTRDPP4CA12
SCHEMBL2672247 0.88 TDO2 (0.39) MGLLTDO2ESR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
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
US-20110319359-A1 INDANYL 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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MGLL 2051/4885IDO1 1647/4885TDO2 2786/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885IDO1 959/4885TDO2 2454/4885

“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.