SCHEMBL4575614

SCHEMBL4575614

CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OCc3nn[nH]n3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
RXRA P19793 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL4575566 0.89 KDM4E (0.38) TRPM8PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL4575175 0.83 TRPM8 (0.39) TRPM8RXRAGRIN1GRIN2B
SCHEMBL14277910 0.81 RXRA (0.33) TRPM8RXRAGRIN1GRIN2B
SCHEMBL4576109 0.81 SMN1; SMN2 (0.42) TRPM8MEN1KMT2AGCGRGIPR
SCHEMBL4575708 0.78 KDM4E (0.39) TRPM8PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL4575338 0.78 PPARA (0.42) TRPM8
SCHEMBL4574823 0.76 NR1H2 (0.40) TRPM8RXRAGRIN1GRIN2B
SCHEMBL4575710 0.75 NR1H2 (0.39) TRPM8RXRAGRIN1GRIN2BGCGR
SCHEMBL4575939 0.74 NR1H2 (0.37) TRPM8MAPTRXRAGRIN1GRIN2B
SCHEMBL4574756 0.73 PPARA (0.48) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US claimed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US claimed
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

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 TRPM8 1027/4885PTGDR2 332/4885CYP2C8 561/4885

“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.