SCHEMBL4092897

SCHEMBL4092897

COCOC1CC(C#N)(c2cccs2)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.34
SLC6A3 Q01959 10/20 0.34
SLC6A2 P23975 10/20 0.34

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
SCHEMBL4094258 0.76 MAPT (0.38) SLC6A4SLC6A2
SCHEMBL4097077 0.75 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2
SCHEMBL349206 0.73 OPRM1 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL2994923 0.72 MAPT (0.40) SLC6A4SLC6A2
SCHEMBL29101215 0.70 SLC6A3 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL7467433 0.70 OPRL1 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL4441268 0.69 SLC6A2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL1557061 0.68 OPRM1 (0.43)
SCHEMBL4093386 0.67 HSD11B1 (0.42)
SCHEMBL4106029 0.67 HSD11B1 (0.42)

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 SLC6A4 704/4885SLC6A3 491/4885SLC6A2 1397/4885

“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.