SCHEMBL4987384

SCHEMBL4987384

CCC(CCc1cccc(OC(F)(F)F)c1)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPK14 Q16539 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2C9 P11712 1/20 0.39
EPHX1 P07099 1/20 0.39
DAO P14920 1/20 0.39
CETP P11597 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL4984871 0.94 PPARG (0.43) CHRM2CHRM1CHRM3SCN9AMAPK14
SCHEMBL4984013 0.89 PLA2G10 (0.44) MAPK14TRPM8PLA2G10PLA2G2APLA2G5
SCHEMBL4991387 0.89 PPARG (0.40) PLA2G10PLA2G2APLA2G5PPARGPPARA
SCHEMBL4986652 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM3SCN9AMAPK14
SCHEMBL4986420 0.87 PPARG (0.50) SCN9APPARGPPARAEPHX2EPHX1
SCHEMBL4990898 0.87 TAAR1 (0.48) PPARA
SCHEMBL4984233 0.86 CA1 (0.43) CHRM2CHRM1CHRM3PPARGPPARA
SCHEMBL4990666 0.84 PPARG (0.45) PPARGPPARAEPHX2
SCHEMBL4986177 0.84 TAAR1 (0.47) PPARGPPARAEPHX1
SCHEMBL4990042 0.83 PPARG (0.42) CHRM2CHRM1CHRM3SCN9AMAPK14

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 CHRM2 2876/4885CHRM1 2534/4885CHRM3 3291/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CHRM2 2045/4885CHRM1 1727/4885CHRM3 2569/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CHRM2 2544/4885CHRM1 2396/4885CHRM3 3089/4885

“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.