SCHEMBL3147704

SCHEMBL3147704

O=S(=O)(Nc1ccc2[nH]cc(CCN3CCCC3)c2c1)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 1.00
HTR1D P28221 3/20 0.60
HTR1B P28222 3/20 0.60
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1F P30939 1/20 0.52

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
SCHEMBL3153146 0.92 HTR6 (1.00) HTR6HTR1DHTR1BHTR2AHTR7
SCHEMBL4977226 0.86 HTR6 (0.75) HTR6HTR1DHTR1BHTR2AHTR7
SCHEMBL3153292 0.85 HTR6 (1.00) HTR6
SCHEMBL13333255 0.84 HTR6 (0.76) HTR6HTR1DHTR1BHTR2AHTR7
SCHEMBL4968171 0.83 HTR6 (0.84) HTR6HTR1DHTR1BHTR2A
SCHEMBL13333253 0.82 HTR6 (0.76) HTR6HTR1DHTR1BHTR2AHTR1A
SCHEMBL3961769 0.82 HTR6 (0.69) HTR6
SCHEMBL3153502 0.81 HTR6 (0.69) HTR6HTR1DHTR1BHTR2AHTR7
SCHEMBL3147543 0.81 HTR6 (1.00) HTR6HTR7
SCHEMBL13333251 0.80 HTR6 (0.74) HTR6HTR2A

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081600-B1 Combination of the NMDA- receptor ligand memantine and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2012-12-05 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
EP-1666462-B1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM ESTEVE LABOR DR (ES) 2009-04-15 EP claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO claimed
EP-2018861-A1 5HT6-Ligands such as sulfonamide derivatives in drug-induced weight-gain Laboratorios del Dr. Esteve S.A. (ES) 2009-01-28 EP claimed
CN-100441180-C Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2008-12-10 CN claimed
EP-1626715-B1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION ESTEVE LABOR DR (ES) 2008-09-10 EP claimed
US-7176200-B2 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-02-13 US claimed
JP-2006525972-A 2006-11-16 JP claimed
CN-1816334-A Use of sulfonamide derivatives as ligands for 5-ht6, in treatment of e.g. food ingestion disorder, obesity, bulimia, anorexia, cachexia and type ii diabetes PARATEK PHARM INNC (ES) 2006-08-09 CN claimed
EP-1666462-A1 N-[1H-INDOL-5-YL]NAPHTHALENE-1-SULPHONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-07 EP claimed
EP-1626715-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-22 EP claimed
US-20050065202-A1 Use of sulphonamide derivatives for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-03-24 US claimed
WO-2004098588-A1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2004-11-18 WO claimed
EP-1445252-A1 SULPHONAMIDE DERIVATIVES, THE PREPARATION THEREOF AND THE APPLICATION OF SAME AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-08-11 EP claimed
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-10-09 US claimed
EP-2081600-B1 Combination of the NMDA- receptor ligand memantine and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2012-12-05 EP disclosed
EP-1445252-A1 SULPHONAMIDE DERIVATIVES, THE PREPARATION THEREOF AND THE APPLICATION OF SAME AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-08-11 EP disclosed
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-10-09 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 (3 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-20050065202-A1 Use of sulphonamide derivatives for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion SULT2A1, STS, MPST HTR6 886/4885HTR1D 908/4885HTR1B 834/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 HTR6 1/4885HTR1D 19/4885HTR1B 7/4885
US-20030191124-A1 Derivatives of sulphonamides, their preparation and use as medicaments STS, SULT2A1, MPST HTR6 3229/4885HTR1D 3037/4885HTR1B 3294/4885

“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.