SCHEMBL4990042

SCHEMBL4990042

CC(CCCc1cccc(OC(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP2C9 P11712 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SCN9A Q15858 1/20 0.40
CNR1 P21554 1/20 0.40
EPHX1 P07099 1/20 0.39
DAO P14920 1/20 0.39
GRIK1 P39086 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
CETP P11597 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38

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
SCHEMBL4986652 0.94 CHRM2 (0.44) PPARGCHRM2CHRM1CHRM3MAPK14
SCHEMBL4991226 0.89 PPARG (0.36) PPARGPPARAMAPK14CYP2C9EPHX1
SCHEMBL4984871 0.88 PPARG (0.43) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL4987494 0.87 PLA2G10 (0.45) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL4994138 0.87 PPARA (0.45) PPARGPPARAEPHX1GRIK1
SCHEMBL4987223 0.87 MTNR1A (0.48) CHRM2CHRM1CHRM3GRIK1
SCHEMBL4983576 0.85 PPARA (0.46) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL4989113 0.84 PPARG (0.38) PPARGPPARAGRIK1
SCHEMBL3997518 0.84 TAAR1 (0.47) PPARGPPARAEPHX1GRIK1
SCHEMBL4002451 0.84 TAAR1 (0.47) PPARGPPARAEPHX1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 PPARG 1820/4885PPARA 1454/4885CHRM2 2876/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PPARA 1126/4885CHRM2 2045/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PPARA 1324/4885CHRM2 2544/4885

“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.