SCHEMBL4574823

SCHEMBL4574823

CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
TRPM8 Q7Z2W7 6/20 0.35
CETP P11597 2/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SLC6A4 P31645 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
ALOX5 P09917 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4575939 0.88 NR1H2 (0.37) NR1H2NR1H3TRPM8CETPRXRA
SCHEMBL4575015 0.87 PPARD (0.47) NR1H2NR1H3TRPM8
SCHEMBL4575710 0.87 NR1H2 (0.39) NR1H2NR1H3TRPM8CETPRXRA
SCHEMBL4575546 0.86 NR1H2 (0.40) NR1H2NR1H3TRPM8CETPRXRA
SCHEMBL4575134 0.85 PPARA (0.41) NR1H2NR1H3TRPM8
SCHEMBL4575175 0.85 TRPM8 (0.39) NR1H2NR1H3TRPM8CETPRXRA
Phenol SCHEMBL4575505 0.82 TRPM8 (0.37) NR1H2NR1H3TRPM8CETP
SCHEMBL4576109 0.81 SMN1; SMN2 (0.42) TRPM8EPHX2NR1H4
Phenol SCHEMBL4574712 0.81 BCHE (0.39) NR1H2NR1H3TRPM8CETPRXRA
SCHEMBL14277918 0.81 NR1H2 (0.35) NR1H2NR1H3TRPM8

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 NR1H2 5/4885NR1H3 4/4885TRPM8 1027/4885

“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.