SCHEMBL4981545

SCHEMBL4981545

CC(CCCc1ccc(Cl)c(Cl)c1)C(N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
FFAR1 O14842 5/20 0.43
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
PYGL P06737 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
FDFT1 P37268 1/20 0.39
KMO O15229 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
SCHEMBL4983954 0.92 PNMT (0.46) PNMTFFAR1S1PR2S1PR1TAAR1
SCHEMBL4991043 0.85 S1PR2 (0.48) S1PR2S1PR1FDFT1
SCHEMBL4986080 0.85 FFAR1 (0.44) PNMTFFAR1IGF1RALOX15S1PR2
SCHEMBL4986765 0.85 PNMT (0.42) PNMTFFAR1S1PR2S1PR1TAAR1
SCHEMBL4990340 0.83 PNMT (0.57) PNMTFFAR1FDFT1KMO
SCHEMBL4981791 0.83 PNMT (0.47) PNMTFFAR1TAAR1
SCHEMBL4984288 0.80 GRIK1 (0.50) S1PR2S1PR1
SCHEMBL4994174 0.79 PNMT (0.51) PNMTFFAR1FDFT1KMO
SCHEMBL4986912 0.79 FFAR1 (0.46) PNMTFFAR1S1PR2S1PR1TAAR1
SCHEMBL4990779 0.78 ACLY (0.50)

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 PNMT 2239/4885FFAR1 2235/4885IGF1R 4274/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885FFAR1 1923/4885IGF1R 4400/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885FFAR1 2117/4885IGF1R 4401/4885

“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.