SCHEMBL1999791

SCHEMBL1999791

CNCCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.79
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CMA1 P23946 3/20 0.53
PFKFB3 Q16875 4/20 0.52
PFKFB4 Q16877 3/20 0.52
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
ADRA1B P35368 2/20 0.50
DRD3 P35462 2/20 0.50
HTR4 Q13639 2/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
CYP1A2 P05177 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL1998470 0.91 HTR6 (0.77) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL1997328 0.90 HTR6 (0.80) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3148370 0.88 HTR6 (1.00) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3145090 0.87 HTR6 (1.00) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3152564 0.86 HTR6 (1.00) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3147604 0.86 HTR6 (1.00) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3147252 0.85 HTR6 (0.90) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3157333 0.85 HTR6 (1.00) HTR6NPSR1L3MBTL1HTR1ADRD2
SCHEMBL3156507 0.85 HTR6 (0.91) HTR6NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3153770 0.83 HTR6 (1.00) HTR6NPSR1L3MBTL1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-7960568-B2 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-14 US disclosed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
WO-2008092665-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed
EP-1953153-A1 Heterocyclyl-substituted sulfonamides for the treatment of cognitive or food ingestion related disorders Laboratorios del Dr. Esteve S.A. (ES) 2008-08-06 EP 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-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C HTR6 1/4885NPSR1 25/4885L3MBTL1 3601/4885

“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.