SCHEMBL4575425

SCHEMBL4575425

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.36
GCGR P47871 3/20 0.36
CETP P11597 3/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL4575569 0.91 CETP (0.43) NR1H2NR1H3TRPM8CETP
SCHEMBL4575994 0.89 CETP (0.36) NR1H2NR1H3TRPM8CETPSLC6A4
SCHEMBL4576170 0.88 CETP (0.35) NR1H2NR1H3TRPM8CETPTSHR
SCHEMBL4575451 0.88 PRMT6 (0.36) NR1H2NR1H3TRPM8CETPTSHR
SCHEMBL4575546 0.87 NR1H2 (0.40) NR1H2NR1H3TRPM8CETPTSHR
SCHEMBL4575060 0.85 BCHE (0.43) NR1H2NR1H3TRPM8CETPTSHR
SCHEMBL4575710 0.84 NR1H2 (0.39) NR1H2NR1H3TRPM8GCGRCETP
SCHEMBL4576134 0.84 PPARD (0.43) TRPV1
SCHEMBL4574817 0.84 POLB (0.36) NR1H2NR1H3TRPM8CETPSLC6A4
SCHEMBL4575952 0.84 PPARA (0.50)

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 4/4885TRPV1 356/4885

“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.