SCHEMBL5675100

SCHEMBL5675100

CN(C)CC1CN(C2(c3ccccc3)CCCCC2)CCC1(O)c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.62
OPRD1 P41143 17/20 0.62
OPRM1 P35372 11/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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 SCHEMBL5677175 0.99 OPRK1 (0.62) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL5673865 0.89 SMN1; SMN2 (0.57) OPRK1OPRD1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5677140 0.88 SMN1; SMN2 (0.59) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL5675035 0.87 OPRD1 (0.68) OPRK1OPRD1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5675172 0.86 OPRD1 (0.67) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL5674046 0.82 SLC6A2 (0.49) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL5675079 0.81 OPRD1 (0.46) OPRK1OPRD1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5677586 0.81 OPRM1 (0.50) OPRK1OPRD1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5677341 0.80 OPRK1 (0.46) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL28052127 0.80 OPRK1 (0.69) OPRK1OPRD1OPRM1SLC6A2SLC6A4

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 12 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
CN-1496352-A Substituted dimethyl- [ 1- (1-phenyl-cyclohexyl) -piperidin-3-ylmethyl ] -amines and their use as analgesics 2004-05-12 CN 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
CN-1496352-A Substituted dimethyl- [ 1- (1-phenyl-cyclohexyl) -piperidin-3-ylmethyl ] -amines and their use as analgesics 2004-05-12 CN 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 OPRK1 2/4885OPRD1 6/4885OPRM1 1/4885

“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.