SCHEMBL4700830

SCHEMBL4700830

O=C(O)c1c(N2CCCC2=O)c2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.38
GCK P35557 3/20 0.37
TP53 P04637 1/20 0.37
PPARA Q07869 5/20 0.36
PPARD Q03181 1/20 0.36
NTRK1 P04629 2/20 0.34
PPARG P37231 6/20 0.34
DGAT1 O75907 2/20 0.34
ADORA2A P29274 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4697797 0.90 GCK (0.41) MCHR1GCKTP53PPARAPPARD
SCHEMBL3576199 0.85 PPARG (0.40) MCHR1PPARAPPARDPPARGDGAT1
SCHEMBL3017912 0.83 PPARA (0.37) MCHR1PPARAPPARDPPARGDGAT1
SCHEMBL3573981 0.81 PPARG (0.41) PPARAPPARDPPARGDGAT1ADORA2A
SCHEMBL4700751 0.77 GCK (0.41) MCHR1GCKPPARAPPARDPPARG
SCHEMBL3569793 0.77 GCK (0.40) MCHR1GCKPPARAPPARDPPARG
SCHEMBL4697761 0.76 DGAT1 (0.36) MCHR1GCKPPARAPPARDPPARG
SCHEMBL4922011 0.76 PPARG (0.42) TP53PPARAPPARGKCNH2
SCHEMBL3577031 0.76 DGAT1 (0.43) MCHR1PPARGDGAT1ADORA2AKCNH2
SCHEMBL334044 0.74 PPARG (0.43) PPARAPPARG

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 2 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

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 MCHR1 160/4885GCK 2750/4885TP53 2477/4885

“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.