SCHEMBL2615422

SCHEMBL2615422

CN(C)C[C@H]1CCCC[C@]1(O)c1cccc([18F])c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.75
SLC6A2 P23975 15/20 0.75
OPRM1 P35372 13/20 0.75
OPRD1 P41143 4/20 0.75
OPRK1 P41145 4/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
SLC22A1 O15245 3/20 0.70
CHRM2 P08172 1/20 0.70
CHRM1 P11229 1/20 0.70
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL2615420 1.00 SLC6A4 (0.75) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL2517055 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Desmetramadol SCHEMBL57246 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL4396389 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL4396391 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL7921501 0.86 SLC6A4 (0.77) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Desmetramadol SCHEMBL12125413 0.86 OPRM1 (1.00) SLC6A4SLC6A2OPRM1OPRD1OPRK1
O-Desmethyl Tramadol SCHEMBL7882257 0.85 OPRM1 (0.97) SLC6A4SLC6A2OPRM1OPRD1OPRK1
Desmetramadol SCHEMBL2410234 0.85 OPRM1 (0.97) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6944014 0.85 SLC6A4 (0.75) SLC6A4SLC6A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS SLC6A4 916/4885SLC6A2 957/4885OPRM1 2013/4885

“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.