SCHEMBL7097075

SCHEMBL7097075

COc1ccc(OC)c2c1CCC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ADRB3 P13945 1/20 0.39
ACHE P22303 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CRBN Q96SW2 5/20 0.38
DDB1 Q16531 2/20 0.38
ADRA1A P35348 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL10572726 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL98389 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL433879 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL9385296 0.86 ADRB3 (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17543765 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2963795 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6579526 0.86 TSHR (0.41) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8919340 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL97226 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL96786 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HPGDGLAGAA

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 10 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
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO 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 KDM4E 4407/4885ALDH1A1 725/4885HPGD 825/4885
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 KDM4E 2450/4885ALDH1A1 783/4885HPGD 2100/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KDM4E 4579/4885ALDH1A1 524/4885HPGD 947/4885

“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.