SCHEMBL801075

SCHEMBL801075

CN1CCc2[nH]c3ccc(S(=O)(=O)Nc4ccccc4)cc3c2C1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.80
HTR1A P08908 2/20 0.80
HTR2C P28335 2/20 0.80
HTR7 P34969 2/20 0.80
TP53 P04637 8/20 0.56
MAPT P10636 8/20 0.56
LMNA P02545 7/20 0.56
CHRNA7 P36544 1/20 0.55
BAZ2B Q9UIF8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54
THRB P10828 2/20 0.53

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
SCHEMBL801121 0.89 HTR6 (1.00) HTR6HTR1AHTR2CHTR7TP53
SCHEMBL801087 0.89 HTR6 (0.79) HTR6HTR1AHTR2CHTR7TP53
SCHEMBL801275 0.84 HTR6 (0.80) HTR6HTR1AHTR2CHTR7CHRNA7
SCHEMBL4022862 0.79 HTR6 (0.59) HTR6HTR1AHTR2CHTR7TP53
SCHEMBL801084 0.78 HTR6 (1.00) HTR6HTR1AHTR2CHTR7MAPT
Hydrochloric Acid SCHEMBL4031202 0.78 HTR6 (0.60) HTR6HTR1AHTR2CHTR7TP53
SCHEMBL801288 0.77 HTR6 (1.00) HTR6HTR1AHTR2CHTR7TP53
SCHEMBL801279 0.77 HTR6 (0.72) HTR6HTR1AHTR2CHTR7LMNA
SCHEMBL801464 0.77 HTR6 (1.00) HTR6HTR1AHTR2CHTR7CHRNA7
SCHEMBL801409 0.76 HTR6 (1.00) HTR6HTR1AHTR2CHTR7TP53

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 69/4885HTR1A 20/4885HTR2C 9/4885

“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.