SCHEMBL6370206

SCHEMBL6370206

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
MAOA P21397 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PARP10 Q53GL7 4/20 0.40
PARP15 Q460N3 2/20 0.40
HTT P42858 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
SLCO1B1 Q9Y6L6 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
SCHEMBL29893781 0.83 DGAT1 (0.51) DGAT1NPC1RAB9ALMNAMAPT
SCHEMBL17315189 0.83 DGAT1 (0.55) DGAT1LMNAKDM4ETP53MAPT
SCHEMBL6364665 0.82 KDM4E (0.46) NPC1RAB9ALMNAMAOAKDM4E
SCHEMBL8270585 0.81 ALDH1A1 (0.52) NPC1RAB9ALMNAMAOAKDM4E
SCHEMBL10211142 0.80 DGAT1 (0.55) DGAT1LMNAPARP10PARP15HTT
SCHEMBL1405219 0.78 KDM4E (0.49) NPC1RAB9ALMNAMAOAKDM4E
SCHEMBL8282798 0.78 NPC1 (0.49) NPC1RAB9ALMNAMAOAKDM4E
SCHEMBL15729805 0.78 DGAT1 (0.56) DGAT1NPC1RAB9ALMNAMAOA
SCHEMBL31413134 0.78 DGAT1 (0.56) DGAT1LMNAPARP10PARP15HTT
SCHEMBL15270380 0.77 RAB9A (0.47) NPC1RAB9ALMNAMAOAKDM4E

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 DGAT1 1005/4885NPC1 1881/4885RAB9A 2012/4885

“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.