SCHEMBL3149172

SCHEMBL3149172

O=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1ccc2ccccc2c1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.88
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
NR1I2 O75469 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
SCHEMBL4037929 0.94 HTR6 (1.00) HTR6MEN1ALDH1A1MAPTKMT2A
SCHEMBL3144085 0.93 HTR6 (0.76) HTR6PTGDR2NR1I2
SCHEMBL3142917 0.83 HTR6 (0.85) HTR6NR1I2
SCHEMBL3139095 0.82 HTR6 (0.79) HTR6PTGDR2
SCHEMBL3152299 0.82 HTR6 (1.00) HTR6
SCHEMBL3144022 0.82 HTR6 (0.61) HTR6ALDH1A1PTGDR2NR1I2
SCHEMBL3156063 0.82 HTR6 (0.78) HTR6PTGDR2
SCHEMBL3144018 0.81 HTR6 (0.60) HTR6PTGDR2
SCHEMBL3147278 0.80 HTR6 (1.00) HTR6ALDH1A1NR1I2
SCHEMBL27670926 0.77 HTR6 (0.67) HTR6MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 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
US-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-02-08 US claimed
JP-2007500165-A 2007-01-11 JP claimed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO claimed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1660131-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
EP-1648468-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014000-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 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 (5 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-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 HTR6 1/4885MEN1 2057/4885ALDH1A1 1409/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885MEN1 2263/4885ALDH1A1 1189/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885MEN1 1677/4885ALDH1A1 3499/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885MEN1 1091/4885ALDH1A1 3257/4885
US-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators HTR6, HTR5A, TPH1 HTR6 1/4885MEN1 2737/4885ALDH1A1 1252/4885

“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.