SCHEMBL5093775

SCHEMBL5093775

O=C(O)COC(C1CCCCN1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5093762 0.97 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL5093741 0.83 SLC6A2 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL5088388 0.83 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL5125529 0.82 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL5093763 0.81 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL5126221 0.80 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL5088448 0.79 CPN1 (0.36) SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL5092701 0.79 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4
SCHEMBL3763394 0.78 LSS (0.38) SLC6A3SLC6A2SLC6A4
SCHEMBL3769638 0.78 ACHE (0.39) SLC6A3SLC6A2SLC6A4

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-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A3 3945/4885SLC6A2 2372/4885SLC6A4 2704/4885

“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.