SCHEMBL801464

SCHEMBL801464

CN1CCc2[nH]c3ccc(S(=O)(=O)c4cccnc4)cc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 1.00
HTR1A P08908 2/20 0.57
HTR2C P28335 2/20 0.57
HTR7 P34969 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
CHRNA7 P36544 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
BAZ2B Q9UIF8 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL801112 0.87 HTR6 (0.77) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL801275 0.87 HTR6 (0.80) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL801076 0.83 HTR6 (1.00) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL801289 0.83 HTR6 (0.77) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL6038429 0.79 HTR6 (0.67) HTR6HTR1AHTR2CHTR7CHRNA7
SCHEMBL801084 0.77 HTR6 (1.00) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL801075 0.77 HTR6 (0.80) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL801288 0.76 HTR6 (1.00) HTR6HTR1AHTR2CHTR7L3MBTL1
SCHEMBL3717067 0.74 CHRNA7 (0.64) HTR6L3MBTL1CHRNA7SIRT2ALOX15
SCHEMBL801121 0.73 HTR6 (1.00) HTR6HTR1AHTR2CHTR7BAZ2B

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.