SCHEMBL4993209

SCHEMBL4993209

CCC(CCc1ccc(F)c(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CA2 P00918 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CPB2 Q96IY4 1/20 0.32
P2RX7 Q99572 5/20 0.31
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
MME P08473 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL4992635 0.93 RIPK1 (0.34) RIPK1CA2GRIK1CPB2P2RX7
SCHEMBL4990343 0.89 CPB2 (0.31) CPB2
SCHEMBL4993272 0.89 RIPK1 (0.36) RIPK1GRIK1CPB2P2RX7DPP4
SCHEMBL4990104 0.87 RIPK1 (0.36) RIPK1CA2CPB2P2RX7DPP4
SCHEMBL4994386 0.86 CA2 (0.34) RIPK1CA2GRIK1GRIK2P2RX7
SCHEMBL4989930 0.86 CPB2 (0.32) GRIK1GRIK2CPB2MMESLC1A3
SCHEMBL4990976 0.85 DPP4 (0.37) RIPK1GRIK1GRIK2DPP4DPP8
SCHEMBL4992917 0.85 PKM (0.37) RIPK1GRIK1GRIK2MME
SCHEMBL4991275 0.85 TAAR1 (0.41) GRIK1
SCHEMBL4983827 0.82 RIPK1 (0.36) RIPK1CPB2DPP4FAPDPP8

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 4443/4885CA2 360/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A RIPK1 4295/4885CA2 299/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A RIPK1 4459/4885CA2 319/4885GRIK1 415/4885

“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.