SCHEMBL4097077

SCHEMBL4097077

COCOC1CC(C#N)(c2ccsc2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.35
SLC6A2 P23975 8/20 0.35
SLC6A3 Q01959 2/20 0.34
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL13912658 0.81 SLC6A2 (0.37) SLC6A4SLC6A2
SCHEMBL349206 0.79 OPRM1 (0.44) SLC6A4SLC6A2SLC6A3PDE4APDE4B
SCHEMBL4092897 0.75 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL13902235 0.72 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL7468364 0.70 OPRL1 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL4446561 0.69 OPRM1 (0.37)
SCHEMBL1557061 0.68 OPRM1 (0.43) PDE4B
SCHEMBL14258204 0.67 KMT2A (0.33)
SCHEMBL4100469 0.67 HSD11B1 (0.46)
SCHEMBL8106592 0.67 ALDH1A1 (0.36)

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 704/4885SLC6A2 1397/4885SLC6A3 491/4885

“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.