SCHEMBL15216759

SCHEMBL15216759

CCC1CCCC[C@]1(O)c1cccc(O)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.74
OPRM1 P35372 14/20 0.74
SLC6A2 P23975 13/20 0.74
OPRD1 P41143 3/20 0.74
OPRK1 P41145 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
SLC22A1 O15245 3/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52

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
SCHEMBL12298854 1.00 SLC6A4 (0.74) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13292259 1.00 SLC6A4 (0.74) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL19980789 0.86 SLC6A4 (0.70) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL5391759 0.86 SLC6A4 (0.70) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13292251 0.86 SLC6A2 (0.55) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL15127705 0.86 SLC6A4 (0.70) SLC6A4OPRM1SLC6A2OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL13948071 0.85 OPRM1 (0.77) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL13950721 0.85 SLC22A1 (0.72) SLC6A4OPRM1SLC6A2OPRD1OPRK1
Desmetramadol SCHEMBL57246 0.85 OPRM1 (1.00) SLC6A4OPRM1SLC6A2OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL4396389 0.85 OPRM1 (1.00) SLC6A4OPRM1SLC6A2OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716306-B2 Carboxamide bioisosteres of opiates RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-05-06 US disclosed
US-20130225628-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-08-29 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 (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-20130225628-A1 CARBOXAMIDE BIOISOSTERES OF OPIATES OPRK1, OPRD1, OPRM1 SLC6A4 1325/4885OPRM1 3/4885SLC6A2 1448/4885

“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.