SCHEMBL5675035

SCHEMBL5675035

COc1cccc(C2(O)CCN(C3(c4ccccc4)CCCCC3)CC2CN(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.68
OPRK1 P41145 8/20 0.66
SLC6A2 P23975 4/20 0.64
SLC6A4 P31645 4/20 0.64
SLC22A1 O15245 2/20 0.64
OPRM1 P35372 2/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64

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 SCHEMBL5675172 0.99 OPRD1 (0.67) OPRD1OPRK1SLC6A2SLC6A4SLC22A1
SCHEMBL5675100 0.87 OPRK1 (0.62) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5673865 0.86 SMN1; SMN2 (0.57) OPRD1OPRK1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL5677175 0.86 OPRK1 (0.62) OPRD1OPRK1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL5677140 0.85 SMN1; SMN2 (0.59) OPRD1OPRK1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL27582452 0.82 OPRD1 (0.49) OPRD1OPRK1SLC6A2SLC6A4SLC22A1
SCHEMBL24969513 0.82 OPRD1 (0.98) OPRD1OPRK1
SCHEMBL28561605 0.82 OPRD1 (0.82) OPRD1OPRK1
SCHEMBL28555688 0.82 OPRD1 (0.82) OPRD1OPRK1
Hydrochloric Acid SCHEMBL30206752 0.82 OPRD1 (0.96) OPRD1OPRK1

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 OPRD1 6/4885OPRK1 2/4885SLC6A2 466/4885

“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.