SCHEMBL4575994

SCHEMBL4575994

CCc1cnc(N(CCc2ccc(O)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
BCL2L1 Q07817 1/20 0.34
TRPM8 Q7Z2W7 6/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
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
SCHEMBL4576170 0.89 CETP (0.35) CETPNR1H2NR1H3SLC6A4SLC6A3
SCHEMBL4575451 0.89 PRMT6 (0.36) CETPNR1H2NR1H3SLC6A4SLC6A3
SCHEMBL4575425 0.89 NR1H2 (0.40) CETPNR1H2NR1H3SLC6A4SLC6A3
SCHEMBL4575648 0.88 ESR1 (0.41) ESR1ESR2LMNAMAPT
SCHEMBL4575546 0.88 NR1H2 (0.40) CETPNR1H2NR1H3SLC6A4SLC6A3
SCHEMBL4574993 0.88 CETP (0.35) CETPNR1H2NR1H3SLC6A4RXRA
SCHEMBL4575413 0.88 ESR1 (0.37) CETPESR1ESR2NR1H2NR1H3
SCHEMBL4575608 0.87 LMNA (0.38) SLC6A4SLC6A3RXRAGRIN1GRIN2B
SCHEMBL4575060 0.86 BCHE (0.43) CETPNR1H2NR1H3SLC6A4SLC6A3
SCHEMBL4575506 0.85 TRPM8 (0.35) CETPNR1H2NR1H3SLC6A4RXRA

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 263/4885ESR1 714/4885ESR2 506/4885

“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.