SCHEMBL220363

SCHEMBL220363

[CH2]CC1CCCCC1(O)c1cccc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.74
SLC6A2 P23975 16/20 0.74
OPRM1 P35372 10/20 0.74
SLC22A1 O15245 3/20 0.74
OPRD1 P41143 2/20 0.74
OPRK1 P41145 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CHRM2 P08172 1/20 0.74
CHRM1 P11229 1/20 0.74
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL14538756 0.88 SLC6A4 (0.76) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL5411927 0.87 SLC6A4 (0.74) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL29427228 0.87 SLC6A4 (0.74) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL13007830 0.87 SLC6A4 (0.74) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL5318670 0.85 SLC6A2 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL11984200 0.85 SLC6A2 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL3265792 0.85 SLC6A2 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL4393885 0.85 SLC22A1 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL57495 0.85 SLC6A2 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
(R,R)-Tramadol SCHEMBL12831358 0.85 SLC6A2 (1.00) SLC6A4SLC6A2OPRM1SLC22A1OPRD1

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 SLC6A4 380/4885SLC6A2 1062/4885OPRM1 2154/4885

“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.