SCHEMBL10132543

SCHEMBL10132543

CC(C)(C)OC(=O)N1CCC[C@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
OPRD1 P41143 2/20 0.48
MAPT P10636 1/20 0.46
DPP4 P27487 3/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL10132250 0.88 CCR3 (0.47) NR1H2NR1H3NPC1ALOX5APFEN1
SCHEMBL23478097 0.88 CCR3 (0.47) NR1H2NR1H3NPC1ALOX5APFEN1
SCHEMBL10132334 0.86 NPSR1 (0.50) OPRD1MAPTDPP4NR1H2NR1H3
SCHEMBL10132519 0.86 HRH3 (0.52) HRH3MAPTDPP4DPP8DPP9
SCHEMBL1992473 0.85 FPR3 (0.52) OPRD1NR1H2NR1H3NPC1ALDH1A1
SCHEMBL1992474 0.85 FPR3 (0.52) OPRD1NR1H2NR1H3NPC1ALDH1A1
SCHEMBL10132293 0.85 ALDH1A1 (0.51) HRH3OPRD1MAPTNR1H2NR1H3
SCHEMBL698218 0.85 NR1H2 (0.54) OPRD1DPP4NR1H2NR1H3
SCHEMBL27854990 0.85 NR1H2 (0.54) OPRD1DPP4NR1H2NR1H3
SCHEMBL698422 0.85 NR1H2 (0.54) OPRD1DPP4NR1H2NR1H3

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-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 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-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 KCNH2 246/4885HRH3 146/4885OPRD1 75/4885

“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.