SCHEMBL4990023

SCHEMBL4990023

CCC(CCc1ccc(F)cc1)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.42
MMP2 P08253 3/20 0.42
DPP4 P27487 1/20 0.38
MME P08473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4986526 0.92 GRIK1 (0.43) MMP3MMP2MMETAAR1TDP1
SCHEMBL4987502 0.88 ANPEP (0.43) DPP4TAAR1TDP1KMT2AGRIK1
SCHEMBL4992482 0.88 CYP1A2 (0.39) MMP3MMP2DPP4TAAR1TDP1
SCHEMBL4984221 0.86 CPB2 (0.33) MMP3MMP2GRIK1GRIK2
SCHEMBL4987270 0.86 PPARG (0.44) MMP3MMP2DPP4MMETAAR1
SCHEMBL4990406 0.86 MME (0.41) MMETDP1KMT2A
SCHEMBL4989491 0.86 MME (0.41) MMETDP1KMT2A
SCHEMBL4983625 0.86 PPARA (0.48) MMP3MMP2TAAR1GRIK1GRIK2
SCHEMBL4989310 0.86 DPP4 (0.37) MMP3MMP2DPP4MMEGRIK1
SCHEMBL4992917 0.85 PKM (0.37) MMEGRIK1GRIK2FFAR1ALDH1A1

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 MMP3 4661/4885MMP2 4647/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MMP3 4708/4885MMP2 4713/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MMP3 4643/4885MMP2 4616/4885DPP4 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.