SCHEMBL4574993

SCHEMBL4574993

CCc1cnc(N(CCc2cc(C)c(O)cc2C)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
TRPM8 Q7Z2W7 7/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADRB2 P07550 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC6A4 P31645 1/20 0.33
BCL2L1 Q07817 1/20 0.33
PDK1 Q15118 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PTGER4 P35408 1/20 0.33
MCHR1 Q99705 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
SCHEMBL4575443 0.90 CETP (0.41) CETPRXRAGRIN1GRIN2B
SCHEMBL4575994 0.88 CETP (0.36) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4575506 0.85 TRPM8 (0.35) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4575405 0.84 PPARA (0.43) TRPM8
SCHEMBL4575451 0.83 PRMT6 (0.36) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4575546 0.82 NR1H2 (0.40) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4575060 0.82 BCHE (0.43) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4575425 0.81 NR1H2 (0.40) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4576170 0.81 CETP (0.35) CETPTRPM8NR1H2NR1H3RXRA
SCHEMBL4574817 0.79 POLB (0.36) CETPTRPM8NR1H2NR1H3RXRA

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 263/4885TRPM8 1027/4885NR1H2 5/4885

“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.