SCHEMBL4990976

SCHEMBL4990976

CCC(CCc1cc(F)ccc1F)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.37
DPP7 Q9UHL4 5/20 0.37
RIPK1 Q13546 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
PPARG P37231 2/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 1/20 0.34
DPP9 Q86TI2 6/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
DPP8 Q6V1X1 4/20 0.34
SLC6A4 P31645 2/20 0.33
HTR2C P28335 1/20 0.33
MPO P05164 1/20 0.32

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
SCHEMBL4990167 0.93 DPP4 (0.35) DPP4DPP7RIPK1GRIK1GRIK2
SCHEMBL4992917 0.90 PKM (0.37) RIPK1GRIK1GRIK2PPARGEPHX2
SCHEMBL4989521 0.88 DPP4 (0.43) DPP4DPP7RIPK1PPARGEPHX2
SCHEMBL4989908 0.88 DPP4 (0.43) DPP4DPP7RIPK1PPARGEPHX2
SCHEMBL4983827 0.85 RIPK1 (0.36) DPP4DPP7RIPK1PPARGDPP9
SCHEMBL4993209 0.85 RIPK1 (0.35) DPP4DPP7RIPK1GRIK1GRIK2
SCHEMBL4991275 0.85 TAAR1 (0.41) GRIK1PPARGPPARA
SCHEMBL4990657 0.85 GRIK1 (0.37) DPP4DPP7RIPK1GRIK1GRIK2
SCHEMBL4990023 0.85 MMP3 (0.42) DPP4GRIK1GRIK2
SCHEMBL4986805 0.83 EPHX2 (0.36) RIPK1GRIK1PPARGEPHX2PKM

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 6 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
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

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 DPP4 2680/4885DPP7 1811/4885RIPK1 4443/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885DPP7 2158/4885RIPK1 4295/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885DPP7 1690/4885RIPK1 4459/4885

“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.