SCHEMBL4697761

SCHEMBL4697761

CN(C)CCCC(=O)Nc1c(C(=O)O)n(-c2ccc(OC3CCCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cn3)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.36
PPARA Q07869 5/20 0.35
PPARD Q03181 1/20 0.35
KCNH2 Q12809 2/20 0.35
ADORA2A P29274 1/20 0.35
PPARG P37231 9/20 0.34
SOAT1 P35610 1/20 0.33
MCHR1 Q99705 3/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
GCK P35557 1/20 0.32

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
SCHEMBL4704618 0.92 GCK (0.37) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL3576199 0.81 PPARG (0.40) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL3017912 0.80 PPARA (0.37) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL3573981 0.78 PPARG (0.41) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL4700751 0.76 GCK (0.41) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL4700830 0.76 MCHR1 (0.38) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL3569793 0.76 GCK (0.40) DGAT1PPARAPPARDKCNH2ADORA2A
SCHEMBL4698138 0.74 PTGES (0.44) PPARAPPARG
SCHEMBL4926766 0.74 PPARG (0.44) PPARAPPARG
SCHEMBL4702217 0.73 PTGES (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
EP-1909791-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 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-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 DGAT1 2466/4885PPARA 1228/4885PPARD 1000/4885

“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.