SCHEMBL5674169

SCHEMBL5674169

CCCCCCCCC1(O)CCN(C2(c3ccccc3)CCCCC2)CC1CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
SLC6A9 P48067 2/20 0.42
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 5/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP2B6 P20813 1/20 0.40
PRCP P42785 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRD1 P41143 7/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRK1 P41145 6/20 0.39

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
Hydrochloric Acid SCHEMBL5839328 0.99 OPRM1 (0.43) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
SCHEMBL5674131 0.96 OPRM1 (0.44) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
Hydrochloric Acid SCHEMBL5677649 0.95 OPRM1 (0.45) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
SCHEMBL5673834 0.87 SLC6A2 (0.46) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
Hydrochloric Acid SCHEMBL5675690 0.86 OPRM1 (0.47) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
SCHEMBL5673645 0.85 OPRD1 (0.44) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
Hydrochloric Acid SCHEMBL5677077 0.84 OPRM1 (0.45) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
SCHEMBL5674117 0.83 OPRD1 (0.46) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
Hydrochloric Acid SCHEMBL5673861 0.82 OPRD1 (0.45) OPRM1SLC6A9SLC6A4SLC6A2GRIN1
SCHEMBL5674046 0.81 SLC6A2 (0.49) OPRM1SLC6A9SLC6A4SLC6A2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049327-B2 Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics GRUENENTHAL GMBH (DE) 2006-05-23 US claimed
EP-1370529-B1 SUBSTITUTED DIMETHYL- 1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-01-11 EP claimed
US-20040127516-A1 Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics GRUENENTHAL GMBH (DE) 2004-07-01 US claimed
EP-1370529-A1 SUBSTITUTED DIMETHYL- 1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2003-12-17 EP claimed
WO-2002072550-A1 SUBSTITUTED DIMETHYL-[1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2002-09-19 WO claimed
US-7049327-B2 Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics GRUENENTHAL GMBH (DE) 2006-05-23 US disclosed
EP-1370529-B1 SUBSTITUTED DIMETHYL- 1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-01-11 EP disclosed
US-20040127516-A1 Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics GRUENENTHAL GMBH (DE) 2004-07-01 US disclosed
EP-1370529-A1 SUBSTITUTED DIMETHYL- 1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2003-12-17 EP disclosed
WO-2002072550-A1 SUBSTITUTED DIMETHYL-[1-(1-PHENYL-CYCLOHEXYL)-PIPERIDIN-3-YL METHYL]-AMINES AND THE USE OF THE SAME AS ANALGESICS Grünenthal GmbH (DE) 2002-09-19 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-20040127516-A1 Substituted dimethyl-[1-(1-phenyl-cyclohexyl)-piperidin-3-ylmethyl]-amines and the use of the same as analgesics OPRM1, OPRK1, PNMT OPRM1 1/4885SLC6A9 3784/4885SLC6A4 535/4885

“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.