SCHEMBL801393

SCHEMBL801393

CN1CCc2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc3n2C)C1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.79
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL801073 0.89 HTR6 (1.00) HTR6CYP1A2CYP2D6
SCHEMBL801394 0.87 HTR6 (0.79) HTR6CYP1A2CYP2D6
SCHEMBL801291 0.84 HTR6 (0.60) HTR6CYP1A2CYP2D6BAZ2BCYP3A4
SCHEMBL10080982 0.81 HTR6 (0.59) HTR6
SCHEMBL6038266 0.80 HTR6 (0.84) HTR6CYP1A2CYP2D6
SCHEMBL801289 0.77 HTR6 (0.77) HTR6CYP1A2CYP2D6BAZ2BLMNA
SCHEMBL801279 0.76 HTR6 (0.72) HTR6CYP1A2CYP2D6LMNAHTT
SCHEMBL801286 0.74 HTR6 (1.00) HTR6
SCHEMBL801088 0.74 HTR6 (0.66) HTR6CYP1A2CYP2D6LMNAHTT
SCHEMBL25056609 0.71 HTR6 (0.64) HTR6CYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433939-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME Alla Chem, LLC. (US) 2012-03-28 EP disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
WO-2010134846-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2010-11-25 WO 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-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 HTR6 69/4885CYP1A2 648/4885CYP2D6 812/4885

“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.