SCHEMBL4984598

SCHEMBL4984598

CC(CCc1cccc(F)c1F)CC(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.35
POLB P06746 1/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIK1 P39086 1/20 0.32
CPA1 P15085 1/20 0.32
CPA2 P48052 1/20 0.32
CPA4 Q9UI42 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL4990785 0.93 GRIK1 (0.36) HMGB1POLBRIPK1MEN1GAA
SCHEMBL4993724 0.90 TAAR1 (0.44) POLBMEN1GAAKMT2AALDH1A1
SCHEMBL4994386 0.88 CA2 (0.34) RIPK1DPP4GRIK1
SCHEMBL4986465 0.87 DPP4 (0.38) RIPK1DPP4
SCHEMBL4993272 0.86 RIPK1 (0.36) HMGB1POLBRIPK1DPP4GRIK1
SCHEMBL4988072 0.85 TAAR1 (0.34) POLBALDH1A1GRIK1TAAR1
SCHEMBL4001251 0.82 TAAR1 (0.41) POLBMEN1GAAKMT2AGRIK1
SCHEMBL3992461 0.82 TAAR1 (0.41) POLBMEN1GAAKMT2AGRIK1
SCHEMBL4001255 0.82 TAAR1 (0.41) POLBMEN1GAAKMT2AGRIK1
SCHEMBL4989021 0.82 RIPK1 (0.36) RIPK1DPP4

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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 (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 HMGB1 4418/4885POLB 2873/4885RIPK1 4443/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HMGB1 3747/4885POLB 2711/4885RIPK1 4295/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HMGB1 4399/4885POLB 2992/4885RIPK1 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.