SCHEMBL5830741

SCHEMBL5830741

CC(=O)Cc1ccc(Oc2ccc(NC=O)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.45
ACACA Q13085 5/20 0.45
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
ALDH1A1 P00352 2/20 0.43
OPRK1 P41145 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.43
GFER P55789 1/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5830784 0.88 MAPT (0.43) ACACBACACAOPRM1OPRD1ALDH1A1
SCHEMBL8185383 0.80 KDM4E (0.43) ACACBACACAOPRM1OPRD1ALDH1A1
SCHEMBL11041084 0.78 POLB (0.44) ALDH1A1KDM4EMAPTHTTRAB9A
SCHEMBL7807433 0.78 KDM4E (0.55) ACACBACACAOPRM1OPRD1ALDH1A1
SCHEMBL10133732 0.77 TSHR (0.50) OPRM1OPRD1ALDH1A1OPRK1L3MBTL1
SCHEMBL3693246 0.75 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL9267594 0.74 LMNA (0.63) MAPTRAB9ALMNA
SCHEMBL4597702 0.72 KDM4E (0.62) ACACBACACAOPRM1OPRD1ALDH1A1
SCHEMBL10774498 0.71 POLB (0.66) ALDH1A1MAPTHTTRAB9AMEN1
SCHEMBL196260 0.70 KMT2A (0.51) ALDH1A1KDM4EMAPTHTTRAB9A

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 22 patents — showing the first 20. 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-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 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-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP 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
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6075040-A OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5939443-A ANTIDIABETIC AGENTS AND TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 1999-08-17 US disclosed
WO-1999029673-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 WO disclosed
EP-0921120-A1 Selective beta 3 adrenergic agonists ELI LILLY AND COMPANY (US) 1999-06-09 EP disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed
US-5786356-A TREATING TYPE II DIABETES, OBESITY ELI LILLY AND COMPANY (US) 1998-07-28 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP 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 ACACB 1019/4885ACACA 924/4885OPRM1 80/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ACACB 963/4885ACACA 1191/4885OPRM1 96/4885

“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.