SCHEMBL6074124

SCHEMBL6074124

CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.67
EPHX1 P07099 8/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
EPHX2 P34913 1/20 0.59
ADRB3 P13945 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL7095018 1.00 GHSR (0.67) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL14429911 0.89 GHSR (0.70) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL6438783 0.87 EPHX1 (0.84) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL11033138 0.87 EPHX1 (0.84) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL11034317 0.87 EPHX1 (0.84) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL8788507 0.86 CA2 (0.70) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL27472296 0.84 EPHX1 (0.86) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL11596260 0.83 GHSR (0.63) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL11052587 0.82 EPHX1 (0.74) EPHX1ALDH1A1HTTEPHX2HDAC1
SCHEMBL26605108 0.82 DHODH (0.56) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
US-6043253-A TREATMENT OF DIABETES, OBESITY, LOWERING TRIGLYCERIDE OR CHOLESTEROL LEVELS, INCREASING HIGH DENSITY LIPOPROTEIN LEVELS OR DECREASING GUT MOTILITY, REDUCING NEUROGENIC INFLAMMATION, DEPRESSION OR GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 2000-03-28 US disclosed
WO-1999044609-A1 FUSED PIPERIDINE SUBSTITUTED ARYLSULFONAMIDES AS β3-AGONISTS MERCK & CO., INC. (US) 1999-09-10 WO disclosed
EP-0757674-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1997-02-12 EP disclosed
US-5561142-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-10-01 US disclosed
US-5541197-A Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1996-07-30 US disclosed
WO-1995029159-A1 SUBSTITUTED SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1995-11-02 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 (4 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GHSR 109/4885EPHX1 1955/4885ALDH1A1 1091/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 GHSR 95/4885EPHX1 1421/4885ALDH1A1 725/4885
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GHSR 492/4885EPHX1 1438/4885ALDH1A1 507/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GHSR 88/4885EPHX1 1600/4885ALDH1A1 524/4885

“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.