SCHEMBL5630993

SCHEMBL5630993

Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1CN(C)c1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.48
PPARA Q07869 10/20 0.47
GRIN2B Q13224 5/20 0.45
GRIN1 Q05586 3/20 0.45
PPARG P37231 5/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL6017456 0.91 GRIN2B (0.43) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL27642697 0.87 GRIN1 (0.40) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL6017259 0.83 PPARD (0.68) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL6017332 0.76 ICMT (0.41) PPARDPPARAPPARG
SCHEMBL6029270 0.75 PPARD (0.55) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL6017234 0.73 PPARD (0.63) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL12568704 0.73 PPARD (0.53) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL5617386 0.72 PPARD (0.64) PPARDPPARAGRIN2BGRIN1PPARG
SCHEMBL6017109 0.71 TRPV1 (0.42) PPARD
SCHEMBL6029201 0.71 PPARD (0.59) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
JP-2007509996-A 2007-04-19 JP claimed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN claimed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US claimed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO claimed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885GRIN2B 2662/4885

“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.