SCHEMBL801286

SCHEMBL801286

Cc1ccc(S(=O)(=O)n2c3c(c4cc(S(=O)(=O)c5ccccc5)ccc42)CN(C)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 1.00
ADRA2A P08913 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
ADRA1A P35348 2/20 0.50
HRH1 P35367 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL8021905 0.90 HTR6 (0.82) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL12868529 0.88 HTR6 (0.78) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL8033750 0.85 HTR6 (0.74) HTR6HDAC1HDAC2HDAC6
SCHEMBL801073 0.84 HTR6 (1.00) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL12868943 0.84 HTR6 (0.72) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL8021900 0.81 HTR6 (0.68) HTR6ADRA2AADRA1AHRH1HDAC1
SCHEMBL8036424 0.81 HTR6 (0.68) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL12868164 0.81 HTR6 (0.67) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL12868160 0.78 HTR6 (0.64) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13142066 0.77 HTR6 (0.63) HTR6ADRA2AHTR2AHTR2CHTR7

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
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

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 69/4885ADRA2A 10/4885DRD2 62/4885

“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.