SCHEMBL4994174

SCHEMBL4994174

CC(Cc1ccc(Cl)c(Cl)c1)CC(C)C(N)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
FDFT1 P37268 7/20 0.42
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
FFAR1 O14842 6/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
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
SCHEMBL4990340 0.89 PNMT (0.57) PNMTFDFT1DPP4DPP7FFAR1
SCHEMBL4986765 0.87 PNMT (0.42) PNMTFFAR1
SCHEMBL4983425 0.86 PNMT (0.48) PNMTFDFT1DPP4DPP7FFAR1
SCHEMBL4985972 0.83 PNMT (0.54) PNMTFFAR1MAOB
SCHEMBL5797242 0.83 PNMT (0.54) PNMTFDFT1FFAR1MAOAMAOB
SCHEMBL4983954 0.81 PNMT (0.46) PNMTFFAR1KMO
SCHEMBL4983848 0.80 ALDH1A1 (0.43) FFAR1KMO
SCHEMBL4981545 0.79 PNMT (0.44) PNMTFDFT1FFAR1KMO
SCHEMBL4989440 0.78 PNMT (0.50) PNMTFDFT1DPP4DPP7FFAR1
SCHEMBL2029893 0.77 DPP4 (0.56) PNMTFDFT1DPP4DPP7FFAR1

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 2239/4885FDFT1 4593/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885FDFT1 4667/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885FDFT1 4565/4885DPP4 2672/4885

“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.