SCHEMBL3010652

SCHEMBL3010652

CCOC(=O)c1c(CCC#N)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 1/20 0.35
FAAH O00519 1/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
P2RY14 Q15391 3/20 0.34
PPARD Q03181 2/20 0.34
TEAD1 P28347 1/20 0.34
EPHX2 P34913 2/20 0.34
ADRB2 P07550 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
ACACB O00763 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL3011927 0.90 PPARG (0.39) PPARAPPARGP2RY14TEAD1EPHX2
SCHEMBL3013914 0.89 P2RY14 (0.37) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL3012527 0.87 PPARA (0.38) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL333883 0.86 FAAH (0.38) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL334231 0.84 PPARG (0.41) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL3010730 0.84 FAAH (0.35) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL3010732 0.84 FAAH (0.35) AKR1C3AKR1C2FAAHPPARAPPARG
SCHEMBL333848 0.80 PPARG (0.40) PPARAPPARGPPARD
SCHEMBL3112196 0.79 FAAH (0.36) FAAHPPARAPPARGPDE4BPDE4D
SCHEMBL3112189 0.79 FAAH (0.36) FAAHPPARAPPARGPDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 AKR1C3 484/4885AKR1C2 917/4885FAAH 2821/4885

“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.