SCHEMBL13745891

SCHEMBL13745891

O=C(O)CCCCCCNC1c2ccccc2NS(=O)(=O)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.65
OPRM1 P35372 1/20 0.65
DRD3 P35462 1/20 0.65
OPRD1 P41143 1/20 0.65
HTR2C P28335 1/20 0.49
SLC6A3 Q01959 1/20 0.49
BCHE P06276 15/20 0.44
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13745448 0.99 NR1I2 (0.63) NR1I2OPRM1DRD3OPRD1HTR2C
SCHEMBL17087224 0.82 NR1I2 (0.45) NR1I2OPRM1DRD3OPRD1BCHE
SCHEMBL17087299 0.79 NR1I2 (0.43) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL49293 0.78 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1HTR2C
Tianeptine SCHEMBL29877330 0.78 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1HTR2C
Tianeptine SCHEMBL3996165 0.78 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1HTR2C
Tianeptine SCHEMBL29470274 0.78 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1HTR2C
Tianeptine SCHEMBL29930593 0.78 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1HTR2C
SCHEMBL4255730 0.78 NR1I2 (0.40) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL1231001 0.78 NR1I2 (0.98) NR1I2OPRM1DRD3OPRD1HTR2C

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-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
EP-1752143-A1 Novel uses for drugs targeting glutamine synthetase NewThera (FR) 2007-02-14 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-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS NR1I2 516/4885OPRM1 224/4885DRD3 1663/4885

“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.