SCHEMBL17113644

SCHEMBL17113644

CC1NC(=O)OC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
SIGMAR1 Q99720 6/20 0.49
ACHE P22303 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL1488906 0.86 GAA (0.50) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL18075896 0.83 SIGMAR1 (0.48) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL13864847 0.82 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL17101341 0.80 SIGMAR1 (0.45) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL12191843 0.77 ACHE (0.57) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL14136159 0.76 OPRL1 (0.47) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL17101486 0.76 OPRL1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL4462811 0.74 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL9380099 0.73 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2604320 0.72 TSHR (0.75) OPRM1OPRD1OPRK1OPRL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP disclosed
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
EP-3122739-A1 PYRIDYL PIPERIDINES Merck Patent GmbH (DE) 2017-02-01 EP disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 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-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 OPRM1 3153/4885OPRD1 1217/4885OPRK1 1370/4885

“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.