SCHEMBL801073

SCHEMBL801073

CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 1.00
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
HRH1 P35367 3/20 0.47
ADRA2A P08913 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1A P35348 2/20 0.47

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
SCHEMBL6038266 0.91 HTR6 (0.84) HTR6CYP1A2CYP2D6DRD2
SCHEMBL801393 0.89 HTR6 (0.79) HTR6CYP1A2CYP2D6
SCHEMBL801394 0.89 HTR6 (0.79) HTR6CYP1A2CYP2D6HRH1HTR2C
SCHEMBL801286 0.84 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL801279 0.84 HTR6 (0.72) HTR6CYP1A2CYP2D6HRH1ADRA2A
SCHEMBL6038268 0.81 HTR6 (0.67) HTR6HTR2AHTR2C
SCHEMBL6038325 0.80 HTR6 (0.66) HTR6
Hydrochloric Acid SCHEMBL6038270 0.80 HTR6 (0.68) HTR6HTR2AHTR2C
SCHEMBL10080981 0.80 HTR6 (0.66) HTR6HTR2AHTR2C
SCHEMBL801680 0.79 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A

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.