SCHEMBL4983189

SCHEMBL4983189

CC(CC(CN)C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
PPARG P37231 5/20 0.42
EPHX2 P34913 4/20 0.42
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
ACP3 P15309 1/20 0.40
POLQ O75417 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL4981449 0.88 PPARG (0.38) CNR2PPARGEPHX2AKR1C3AKR1C2
SCHEMBL4988063 0.86 CNR2 (0.41) CNR2PPARGEPHX2AKR1C3AKR1C2
SCHEMBL4986459 0.84 PPARG (0.40) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4989456 0.84 PPARG (0.43) CNR2PPARGEPHX2AKR1C3AKR1C2
SCHEMBL4987879 0.84 CES2 (0.41) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4984648 0.84 CES2 (0.41) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4991192 0.81 GAA (0.40) CNR2CYP1A2CYP3A4
SCHEMBL4989731 0.81 PSEN1 (0.34) PPARGEPHX2AKR1C3AKR1C2
SCHEMBL4991131 0.80 PPARG (0.45) PPARGEPHX2AKR1C3AKR1C2HPGD
SCHEMBL4990778 0.80 TSHR (0.51) CYP1A2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US 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 CNR2 394/4885PPARG 1820/4885EPHX2 3970/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CNR2 318/4885PPARG 1405/4885EPHX2 3738/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CNR2 368/4885PPARG 1828/4885EPHX2 3738/4885

“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.