SCHEMBL4987356

SCHEMBL4987356

CC(CCCc1cc(F)cc(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.35
CPB2 Q96IY4 1/20 0.32
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL4989021 0.93 RIPK1 (0.36) RIPK1CPB2DPP4FAPDPP8
SCHEMBL4992764 0.89 HDAC3 (0.32) GRIK1
SCHEMBL4990083 0.86 TAAR1 (0.35) CPB2GRIK1
SCHEMBL4985206 0.86 RIPK1 (0.34) RIPK1CPB2DPP4FAPDPP8
SCHEMBL3992873 0.85 MAOB (0.36) RIPK1DPP9GRIK1
SCHEMBL3995282 0.85 MAOB (0.36) RIPK1DPP9GRIK1
SCHEMBL3998129 0.85 MAOB (0.36) RIPK1DPP9GRIK1
SCHEMBL4986989 0.85 DPP4 (0.35) RIPK1DPP4DPP8DPP9DPP7
SCHEMBL4990182 0.85 RIPK1 (0.38) RIPK1CPB2DPP4FAPDPP8
SCHEMBL4990226 0.84 GRIK1 (0.33) CPB2GRIK1

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 RIPK1 4443/4885CPB2 1747/4885DPP4 2680/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A RIPK1 4295/4885CPB2 1342/4885DPP4 3263/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A RIPK1 4459/4885CPB2 1460/4885DPP4 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.