SCHEMBL5312299

SCHEMBL5312299

CCCCC[C@]1(O)CCCC[C@@H]1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.41
OPRM1 P35372 16/20 0.41
SLC6A2 P23975 16/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC22A1 O15245 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL5315866 1.00 SLC6A4 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5312303 1.00 SLC6A4 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5315862 1.00 SLC6A4 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5312306 1.00 SLC6A4 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL8063149 0.82 TDP1 (0.35)
SCHEMBL28217865 0.82 CYP1A2 (0.38)
SCHEMBL5655317 0.81 EPHX1 (0.31)
SCHEMBL8047946 0.81 EPHX1 (0.34)
SCHEMBL28717721 0.81 EPHX1 (0.34)
SCHEMBL19667352 0.79 CYP1A2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438284-B1 SYNTHESIS OF ( )-2-((DIMETHYLAMINO)METHYL)-1-(ARYL)CYCLOHEXANOLS EURO CELTIQUE SA (LU) 2007-09-26 EP claimed
US-6784319-B2 CONTACTING (+-)-2-((DIMETHYLAMINO)METHYL) CYCLOHEXANONE, A TRANSITION METAL-SALT, AN ORGANIC SOLVENT AND AN ARYL ORGANOMETALLIC COMPOUND TO PROVIDE A CYCLOHEXOXIDE SALT AND PROTONATING EURO-CELTIQUE, S.A. (LU) 2004-08-31 US claimed
US-20040054209-A1 Synthesis of (±)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols PURDUE PHARMA L.P. 2004-03-18 US claimed
US-20030065221-A1 Synthesis of (+/-)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols PURDUE PHARMA L.P. 2003-04-03 US claimed
EP-1438284-B1 SYNTHESIS OF ( )-2-((DIMETHYLAMINO)METHYL)-1-(ARYL)CYCLOHEXANOLS EURO CELTIQUE SA (LU) 2007-09-26 EP disclosed
US-6784319-B2 CONTACTING (+-)-2-((DIMETHYLAMINO)METHYL) CYCLOHEXANONE, A TRANSITION METAL-SALT, AN ORGANIC SOLVENT AND AN ARYL ORGANOMETALLIC COMPOUND TO PROVIDE A CYCLOHEXOXIDE SALT AND PROTONATING EURO-CELTIQUE, S.A. (LU) 2004-08-31 US disclosed
EP-1438284-A1 SYNTHESIS OF ( )-2-((DIMETHYLAMINO)METHYL)-1-(ARYL)CYCLOHEXANOLS EURO-CELTIQUE S.A. (LU) 2004-07-21 EP disclosed
US-20040054209-A1 Synthesis of (±)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols PURDUE PHARMA L.P. 2004-03-18 US disclosed
US-6649783-B2 Complexing cyclohexanone compound with transition metal salt EURO-CELTIQUE, S.A. (LU) 2003-11-18 US disclosed
WO-2003029186-A1 SYNTHESIS OF (±)-2-((DIMETHYLAMINO)METHYL)-1-(ARYL)CYCLOHEXANOLS EURO-CELTIQUE, S.A. (LU) 2003-04-10 WO disclosed
US-20030065221-A1 Synthesis of (+/-)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols PURDUE PHARMA L.P. 2003-04-03 US 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 (2 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-20030065221-A1 Synthesis of (+/-)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols BHMT2, PNMT, INMT SLC6A4 831/4885OPRM1 103/4885SLC6A2 616/4885
US-20040054209-A1 Synthesis of (±)-2-((dimethylamino)methyl)-1-(aryl)cyclohexanols BHMT2, METTL3, PNMT SLC6A4 1181/4885OPRM1 127/4885SLC6A2 809/4885

“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.