SCHEMBL5831340

SCHEMBL5831340

CCCC(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IAPP P10997 3/20 0.54
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FFAR1 O14842 5/20 0.47
RAB9A P51151 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
HTT P42858 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
CTBP2 P56545 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7338789 0.91 FFAR1 (0.53) CYP2A6TSHRHSD17B10FFAR1MMP12
SCHEMBL28050985 0.90 CYP2A6 (0.50) IAPPCYP2A6TSHRHSD17B10FFAR1
SCHEMBL1507376 0.80 ALDH1A1 (0.57) CYP2A6TSHRHSD17B10FFAR1RAB9A
SCHEMBL1337387 0.78 FFAR1 (0.69) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL1053043 0.78 IAPP (0.66) IAPPTSHRHSD17B10LMNA
SCHEMBL1051720 0.78 IAPP (0.61) IAPPCYP2A6FFAR1L3MBTL1
SCHEMBL28238496 0.77 IAPP (0.58) IAPPLMNAL3MBTL1
SCHEMBL885099 0.77 CYP2A6 (0.67) CYP2A6TSHRHSD17B10LOXL2KCNJ1
SCHEMBL4506493 0.77 CYP4F2 (0.66) CYP2A6TSHRHSD17B10FFAR1RAB9A
SCHEMBL9709577 0.77 IAPP (0.59) IAPPFFAR1FFAR4

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 IAPP 158/4885CYP2A6 1059/4885TSHR 269/4885

“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.