SCHEMBL7091144

SCHEMBL7091144

O=C1CCc2c(O)ccc(O)c2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
DRD4 P21917 4/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 2/20 0.47
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CRBN Q96SW2 4/20 0.40
ADRB3 P13945 1/20 0.39
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PARP1 P09874 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SRD5A1 P18405 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33

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
SCHEMBL9651185 0.86 PDE7A (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL11625437 0.85 DRD2 (0.46) DRD2DRD3DRD4DRD1DRD5
SCHEMBL96585 0.85 MAOA (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL9652469 0.85 SRD5A1 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL11541018 0.85 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL9653614 0.85 DRD2 (0.36) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL11623086 0.83 DRD2 (0.45) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL11542068 0.83 DRD2 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL13074402 0.82 DRD2 (0.51) DRD2DRD3DRD4DRD1DRD5
SCHEMBL28616282 0.82 DRD2 (0.41) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55085567-A None JP disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
US-4327173-A CYANINE DYE-FORMING COUPLER; HEAT RESISTANCE; PHOTOSTABILITY; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 1982-04-27 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed
JP-S5585567-A PREPARATION OF CARBOSTYRYL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1980-06-27 JP disclosed
US-4072683-A BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-02-07 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 DRD2 431/4885DRD3 377/4885DRD4 1522/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 DRD2 325/4885DRD3 393/4885DRD4 769/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 DRD2 463/4885DRD3 352/4885DRD4 1482/4885

“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.