SCHEMBL7091814

SCHEMBL7091814

O=C1CCc2c(OC[C@@H]3CO3)ccc(OCc3ccccc3)c2N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
CREBBP Q92793 2/20 0.42
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL6074729 1.00 BRD4 (0.42) BRD4CREBBPCRBNIKZF3MAOA
SCHEMBL9651009 0.82 BRD4 (0.44) BRD4CREBBPCRBNIKZF3MAOA
SCHEMBL9385939 0.82 ALDH1A1 (0.41) CRBNALDH1A1GLATDP1
SCHEMBL11381634 0.81 ALDH1A1 (0.39) ALDH1A1GLATDP1
SCHEMBL11380495 0.81 ALDH1A1 (0.36) ALDH1A1GLATDP1PDE4D
SCHEMBL12559634 0.81 BRD4 (0.51) BRD4CREBBPCRBNIKZF3MAOA
SCHEMBL9384498 0.81 ALDH1A1 (0.46) BRD4ALDH1A1GLATDP1
SCHEMBL9654091 0.81 ALDH1A1 (0.39) ALDH1A1GLATDP1
SCHEMBL11378856 0.81 ALDH1A1 (0.35) MAOAMAOBALDH1A1GLATDP1
SCHEMBL9652974 0.80 ALDH1A1 (0.38) ALDH1A1GLATDP1

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
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

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 BRD4 1969/4885CREBBP 2144/4885CRBN 3674/4885
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 BRD4 647/4885CREBBP 756/4885CRBN 3724/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 BRD4 2215/4885CREBBP 2208/4885CRBN 3696/4885

“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.