SCHEMBL1590340

SCHEMBL1590340

CC(C)(C)OC(=O)N1CCc2cc(NS(=O)(=O)c3c(Br)nc4n3CCS4)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IGF1R P08069 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
PTPN1 P18031 3/20 0.39
MAPT P10636 1/20 0.38
SCN9A Q15858 1/20 0.38
NAMPT P43490 4/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3875448 0.87 HTR6 (0.52) HTR6PTPN1MAPTNAMPTKCNA1
SCHEMBL1590388 0.78 HTR6 (0.73) HTR6KCNA1KCNAB1
SCHEMBL4789781 0.77 ESR2 (0.66) ESR2NR1H2NPC1RAB9AIGF1R
SCHEMBL4510584 0.77 HTR6 (0.54) HTR6ESR2
SCHEMBL3155935 0.75 ESR2 (0.54) HTR6ESR2NR1H2NPC1RAB9A
Hydrochloric Acid SCHEMBL1590699 0.75 HTR6 (0.49) HTR6
SCHEMBL3153735 0.74 ESR2 (0.53) HTR6ESR2NR1H2MAPTNAMPT
SCHEMBL16645108 0.74 ESR2 (0.53) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL3154277 0.73 NAMPT (0.54) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL1590228 0.73 HTR6 (0.52) HTR6MAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324035-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-05-25 EP disclosed
US-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-21 US disclosed
US-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-21 US disclosed
US-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-21 US disclosed
WO-2009135927-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-12 WO disclosed
EP-2116546-A1 Substituted N-phenyl-2,3-dihydroimidazo[2,1-b]thiazole-5-sulfonamide derivatives as 5-HT6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 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-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS HTR6, HTR2A, HTR4 HTR6 1/4885ESR2 461/4885NR1H2 678/4885

“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.