SCHEMBL5830401

SCHEMBL5830401

CC(=O)CCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MMP13 P45452 2/20 0.54
MMP12 P39900 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MMP2 P08253 3/20 0.47
FFAR1 O14842 5/20 0.47
MMP3 P08254 3/20 0.46
CYP2A6 P11509 1/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL1507376 0.95 ALDH1A1 (0.57) TSHRHSD17B10MMP13MMP12ALDH1A1
SCHEMBL5830223 0.85 PARP15 (0.51) ALDH1A1POLBMAPTMMP2FFAR1
SCHEMBL5831140 0.84 HSD17B10 (0.51) TSHRHSD17B10MMP13MMP12ALDH1A1
SCHEMBL6365360 0.83 MAPT (0.57) MMP13ALDH1A1POLBMAPTMMP2
SCHEMBL10013674 0.83 TSHR (0.58) TSHRHSD17B10MMP13MMP12POLB
SCHEMBL3628694 0.82 CYP11B1 (0.56) TSHRHSD17B10MMP13MMP12ALDH1A1
SCHEMBL21169244 0.81 TSHR (0.57) TSHRHSD17B10MMP13MMP12ALDH1A1
Hydrochloric Acid SCHEMBL3628690 0.81 CYP11B1 (0.55) TSHRHSD17B10MMP13MMP12ALDH1A1
SCHEMBL12126626 0.80 ALDH1A1 (0.61) MMP12ALDH1A1MAPTFFAR1FFAR4
SCHEMBL7338789 0.80 FFAR1 (0.53) TSHRHSD17B10MMP13MMP12FFAR1

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 9 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-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 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-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 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 (1 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 TSHR 269/4885HSD17B10 933/4885MMP13 2225/4885

“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.