SCHEMBL7091639

SCHEMBL7091639

CC(C)(C)OC(=O)NCc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPN1 P18031 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
KCNA5 P22460 2/20 0.37
HDAC1 Q13547 2/20 0.37
RIPK1 Q13546 1/20 0.36
GLS O94925 1/20 0.36
PDK2 Q15119 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BDKRB1 P46663 3/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM4 P08173 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 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
SCHEMBL506706 0.82 KDM4A (0.44) KDM4ACTSSCTSKPTPN1EPHX2
SCHEMBL7228139 0.80 CTSS (0.39) KDM4ACTSSCTSKKCNA5HDAC1
SCHEMBL7570714 0.79 ADRB3 (0.49)
SCHEMBL12049326 0.78 NAMPT (0.40) KDM4AKCNA5HDAC1GLSGAA
SCHEMBL12049350 0.77 ELANE (0.44) KDM4AEPHX2NR1H4KCNA5HDAC1
SCHEMBL7094742 0.77 SMN1; SMN2 (0.35)
SCHEMBL27637897 0.76 EPHX2 (0.40) KDM4AEPHX2NR1H4KCNA5HDAC1
SCHEMBL20766466 0.76 ALDH1A1 (0.43) EPHX2NR1H4KCNA5RIPK1HSD17B10
SCHEMBL31672683 0.76 ALDH1A1 (0.43) EPHX2NR1H4KCNA5RIPK1HSD17B10
SCHEMBL25832689 0.76 NAMPT (0.49) CTSSCTSKKMT2ANPC1GAA

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 8 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
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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 KDM4A 4344/4885CTSS 3580/4885CTSK 3453/4885
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 KDM4A 2705/4885CTSS 2409/4885CTSK 3115/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KDM4A 4555/4885CTSS 3842/4885CTSK 3785/4885

“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.