SCHEMBL4575443

SCHEMBL4575443

CCc1cnc(N(CCc2cc(C)c(O)cc2C)Cc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.41
NR3C1 P04150 1/20 0.37
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL4574993 0.90 CETP (0.35) CETPRXRAGRIN1GRIN2B
SCHEMBL4575052 0.87 CETP (0.41) CETPNR3C1RXRAGRIN1GRIN2B
SCHEMBL4575323 0.85 PPARA (0.44) CETPNR3C1
SCHEMBL14277925 0.84 CETP (0.41) CETPNR3C1RXRAGRIN1GRIN2B
SCHEMBL4575606 0.83 CETP (0.41) CETP
SCHEMBL4575569 0.81 CETP (0.43) CETP
SCHEMBL4574622 0.80 CETP (0.45) CETPRXRAGRIN1GRIN2B
SCHEMBL4575376 0.78 PPARA (0.43) CETPNR3C1
SCHEMBL4575994 0.78 CETP (0.36) CETPRXRAGRIN1GRIN2B
SCHEMBL4575963 0.76 PPARG (0.46) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD CETP 263/4885NR3C1 185/4885RXRA 27/4885

“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.