SCHEMBL10132508

SCHEMBL10132508

CC(C)(C)OC(=O)N1CCC[C@H]1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.56
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRD1 P41143 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL10132428 0.92 LMNA (0.51) OPRK1HCRTR1HCRTR2ALDH1A1NPC1
SCHEMBL10132533 0.90 ALDH1A1 (0.48) OPRK1HCRTR1HCRTR2ALDH1A1NPC1
SCHEMBL10132402 0.90 ALDH1A1 (0.48) OPRK1HCRTR1HCRTR2ALDH1A1SLC6A3
SCHEMBL10132315 0.90 OPRK1 (0.46) OPRK1HCRTR1HCRTR2ALDH1A1HRH3
SCHEMBL10132293 0.87 ALDH1A1 (0.51) OPRK1ALDH1A1HRH3NPC1OPRD1
SCHEMBL10132370 0.85 ALDH1A1 (0.50) HCRTR1HCRTR2ALDH1A1
SCHEMBL6990776 0.84 STS (0.48) OPRK1ALDH1A1SLC6A3TMEM97SIGMAR1
SCHEMBL10132355 0.84 ALDH1A1 (0.46) OPRK1ALDH1A1NPC1OPRD1SLC6A3
SCHEMBL22036268 0.83 HPGD (0.49) OPRK1ALDH1A1HRH3SLC6A3TMEM97
SCHEMBL10132334 0.83 NPSR1 (0.50) HCRTR1HCRTR2ALDH1A1NPC1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
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 OPRK1 58/4885HCRTR1 330/4885HCRTR2 244/4885

“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.