SCHEMBL4989941

SCHEMBL4989941

CC(CC(CN)C(=O)O)C(C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
FFAR1 O14842 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PLA2G10 O15496 4/20 0.41
PLA2G2A P14555 4/20 0.41
PLA2G5 P39877 4/20 0.41
PTGS1 P23219 1/20 0.39
CTSA P10619 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 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
SCHEMBL4990782 0.88 GPR139 (0.47) GPR139FFAR1TRPM8PLA2G10PLA2G2A
SCHEMBL4989772 0.88 GRIK1 (0.38) GPR139FFAR1PLA2G10PLA2G2APLA2G5
SCHEMBL27643994 0.86 GPR139 (0.45) GPR139FFAR1TRPM8PLA2G10PLA2G2A
SCHEMBL4995488 0.85 GRIK1 (0.46) PLA2G10PLA2G2APLA2G5GRIK1GRIK2
SCHEMBL4986586 0.85 L3MBTL1 (0.48) GPR139TRPM8PTGS1GRIK1GRIK2
SCHEMBL4989678 0.84 GPR139 (0.43) GPR139FFAR1TRPM8PLA2G10PLA2G2A
SCHEMBL4984405 0.83 PTGS2 (0.46) FFAR1PTGS1CTSA
SCHEMBL4990927 0.82 PPARG (0.39) GPR139PLA2G10PLA2G2APLA2G5GRIK1
SCHEMBL4989966 0.82 PNMT (0.51) GPR139
SCHEMBL4987393 0.81 GRIK1 (0.39) GPR139PLA2G10PLA2G2APLA2G5GRIK1

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 GPR139 579/4885FFAR1 2235/4885TRPM8 536/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GPR139 633/4885FFAR1 1923/4885TRPM8 525/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR139 589/4885FFAR1 2117/4885TRPM8 614/4885

“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.