SCHEMBL4989440

SCHEMBL4989440

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
FFAR1 O14842 12/20 0.44
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
KMO O15229 2/20 0.40
FDFT1 P37268 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4983425 0.89 PNMT (0.48) PNMTFFAR1DPP4DPP7FDFT1
SCHEMBL4986912 0.86 FFAR1 (0.46) PNMTFFAR1KMO
SCHEMBL4986080 0.84 FFAR1 (0.44) PNMTFFAR1
SCHEMBL4990543 0.84 SLC6A2 (0.46) FDFT1TSHR
SCHEMBL4990340 0.83 PNMT (0.57) PNMTFFAR1DPP4DPP7KMO
SCHEMBL4992928 0.82 PNMT (0.53) PNMTFFAR1
SCHEMBL4995226 0.81 FFAR1 (0.42) PNMTFFAR1
SCHEMBL2029896 0.79 DPP4 (0.56) PNMTFFAR1DPP4DPP7KMO
SCHEMBL2029893 0.79 DPP4 (0.56) PNMTFFAR1DPP4DPP7KMO
SCHEMBL29478406 0.79 DPP4 (0.56) PNMTFFAR1DPP4DPP7KMO

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 12 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
EP-1553101-B1 N-ACETYLGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORP (JP) 2016-11-30 EP disclosed
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORPORATION 2008-11-27 US disclosed
US-7393937-B2 N-acetylglucosamine derivatives and use thereof KAO CORPORATION (JP) 2008-07-01 US disclosed
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-20060020127-A1 N-acetylglucosamine derivatives and use thereof KANEBO COSMETICS INC. (JP) 2006-01-26 US 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 (5 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 2235/4885DPP4 2680/4885
US-20060020127-A1 N-acetylglucosamine derivatives and use thereof FUT6, B3GNT2, FUT5 PNMT 4417/4885FFAR1 696/4885DPP4 2561/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885FFAR1 1923/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885FFAR1 2117/4885DPP4 2672/4885
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF B3GNT2, FUT6, FUT5 PNMT 4461/4885FFAR1 612/4885DPP4 2548/4885

“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.