SCHEMBL6848854

SCHEMBL6848854

COc1cccc(C23CCCCC2O3)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.52
SLC6A2 P23975 12/20 0.52
SLC6A3 Q01959 1/20 0.52
OPRM1 P35372 7/20 0.49
SLC22A1 O15245 3/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM1A O60341 1/20 0.46

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
SCHEMBL6848857 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL6848853 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL6851950 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL6851956 1.00 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL10968901 0.96 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL15823722 0.77 CHRNA1 (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10966310 0.76 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11024795 0.76 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11024403 0.76 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1
SCHEMBL11351044 0.76 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3OPRM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780891-B2 MODULATE OPIATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS SEPRACOR INC. 2004-08-24 US disclosed
US-20030171440-A1 Tramadol analogs and uses thereof SEPRACOR INC. 2003-09-11 US disclosed
WO-2003048113-A1 TRAMADOL ANALOGS AND USES THEREOF SEPRACOR INC. (US) 2003-06-12 WO disclosed
EP-0061899-B1 MORPHOLINES JOHN WYETH & BROTHER LIMITED (GB) 1985-03-20 EP disclosed
US-4387097-A Morpholines JOHN WYETH AND BROTHER LIMITED (GB) 1983-06-07 US disclosed
EP-0061899-A1 Morpholines JOHN WYETH & BROTHER LIMITED (GB) 1982-10-06 EP 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-20030171440-A1 Tramadol analogs and uses thereof OPRD1, OPRK1, OPRM1 SLC6A4 56/4885SLC6A2 81/4885SLC6A3 66/4885

“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.