SCHEMBL5830904

SCHEMBL5830904

O=C1CCCc2[nH]c3c(F)cccc3c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.68
PARP1 P09874 1/20 0.42
FEN1 P39748 1/20 0.42
BUB1 O43683 6/20 0.41
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
AURKA O14965 1/20 0.37
ALOX5 P09917 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
AURKB Q96GD4 1/20 0.37
AURKC Q9UQB9 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL6926709 0.81 DYRK1A (0.68) DYRK1AHSD17B10KDM4EBRD4MEN1
SCHEMBL6921110 0.81 DYRK1A (1.00) DYRK1ABUB1HSD17B10KDM4EGSK3B
SCHEMBL7555285 0.80 DYRK1A (0.49) DYRK1ABRD4
SCHEMBL6695622 0.78 GFER (0.63) DYRK1APARP1HSD17B10KDM4EMEN1
SCHEMBL7283436 0.77 CDC7 (0.52) DYRK1AFEN1BUB1KDM4EGSK3A
SCHEMBL1657531 0.74 DYRK1A (0.58) DYRK1AHSD17B10KDM4EMEN1KMT2A
SCHEMBL23537356 0.73 PARP1 (0.59) DYRK1APARP1BUB1HSD17B10KDM4E
SCHEMBL31027151 0.73 DYRK1A (0.58) DYRK1APARP1HSD17B10KDM4EMEN1
SCHEMBL29824193 0.73 PARP1 (0.59) DYRK1APARP1BUB1HSD17B10KDM4E
SCHEMBL2220752 0.73 DYRK1A (0.58) DYRK1APARP1HSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed
EP-0353983-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1996-05-29 EP disclosed
EP-0345956-B1 Tricyclic ketones GLAXO GROUP LTD (GB) 1994-03-16 EP disclosed
US-5202343-A Treating anxiety, psychological disorders GLAXO GROUP LIMITED (GB) 1993-04-13 US disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed
EP-0345956-A1 Tricyclic ketones GLAXO GROUP LIMITED (GB) 1989-12-13 EP disclosed
US-4859662-A Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating 5-HT function disturbances GLAXO GROUP LIMITED (GB) 1989-08-22 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 (2 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 DYRK1A 1696/4885PARP1 4037/4885FEN1 4768/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 DYRK1A 1650/4885PARP1 4053/4885FEN1 4143/4885

“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.