SCHEMBL5023355

SCHEMBL5023355

CCOC(=O)Cn1ccc2ccc(OCc3cc(-c4ccc(F)c(C(F)(F)F)c4)nn3C)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.44
MCL1 Q07820 1/20 0.40
TRPA1 O75762 1/20 0.39
PPARD Q03181 5/20 0.37
PPARA Q07869 4/20 0.37
PPARG P37231 2/20 0.37
KMO O15229 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL5023340 0.90 PPARD (0.45) GRIN2BTRPA1PPARDPPARAPPARG
SCHEMBL5016769 0.89 PPARD (0.44) GRIN2BMCL1PPARDPPARAPPARG
SCHEMBL5027024 0.87 TRPV1 (0.43) GRIN2BMCL1TRPA1PPARDPPARA
SCHEMBL5025660 0.84 MCL1 (0.46) MCL1MTNR1AMTNR1BFFAR1
SCHEMBL5023329 0.82 MCL1 (0.44) GRIN2BMCL1PPARDPPARAPPARG
SCHEMBL5016764 0.81 MCL1 (0.45) GRIN2BMCL1PPARDPPARAPPARG
SCHEMBL5016855 0.80 PPARD (0.45) GRIN2BTRPA1PPARDPPARAPPARG
SCHEMBL5022805 0.80 MCL1 (0.44) MCL1TRPA1PPARDPPARAPPARG
SCHEMBL5016774 0.79 MCL1 (0.45) MCL1TRPA1PPARDPPARAPPARG
SCHEMBL5023384 0.79 PPARD (0.42) GRIN2BMCL1PPARDPPARAPPARG

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
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG GRIN2B 1526/4885MCL1 2737/4885TRPA1 1040/4885

“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.