SCHEMBL6364665

SCHEMBL6364665

CC(=O)CCc1ccc(C(N)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G10 O15496 2/20 0.40
PLA2G2A P14555 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
FFAR1 O14842 3/20 0.39
GPR52 Q9Y2T5 1/20 0.39

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
SCHEMBL8347704 0.84 LMNA (0.46) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL5551094 0.83 SIRT1 (0.46) KDM4EMAPTALDH1A1PLA2G10PLA2G2A
SCHEMBL8876740 0.83 PLK1 (0.43) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6370206 0.82 DGAT1 (0.49) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL6223649 0.81 CYP4F2 (0.44) PLA2G10PLA2G2AMKNK1MKNK2GPR52
SCHEMBL4632516 0.80 ALDH1A1 (0.53) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL4638579 0.80 SKP2 (0.57) KDM4ENPC1LMNACYP1A2CYP3A4
SCHEMBL18676247 0.79 SKP2 (0.56) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL23960204 0.79 MKNK1 (0.44) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6224042 0.79 MKNK1 (0.44) MKNK1MKNK2GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6265581-B1 REACTING SPECIFIED EPOXIDE AND AMINE, REACTING PRODUCT WITH ACID TO FORM ACID ADDITION SALT ELI LILLY AND COMPANY 2001-07-24 US 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-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 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
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 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 (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 KDM4E 3200/4885NPC1 1881/4885LMNA 2252/4885

“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.