SCHEMBL4994110

SCHEMBL4994110

Cc1cccc(CCCC(C)CC(CN)C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARA Q07869 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SCN4A P35499 4/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
BID P55957 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 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
SCHEMBL4987597 0.92 ESR1 (0.34) GRIK1PPARGPTGESALOX5PPARA
SCHEMBL4988379 0.90 TAAR1 (0.41) GRIK1PPARGPTGER1
SCHEMBL4989982 0.89 GRIK1 (0.35) GRIK1
SCHEMBL4988162 0.87 GRIK1 (0.40) GRIK1PPARGPTGESALOX5PPARA
SCHEMBL4986561 0.85 PPARG (0.36) GRIK1PPARGPTGESALOX5PPARA
SCHEMBL4990975 0.84 SCN4A (0.38) PPARGPTGESALOX5PPARAESR1
SCHEMBL4989649 0.84 IAPP (0.44) GRIK1BIDBCL2L1MCL1BAK1
SCHEMBL4984834 0.83 TAAR1 (0.42) GRIK1BIDBCL2L1MCL1BAK1
SCHEMBL4986856 0.83 GRIK1 (0.36) GRIK1
SCHEMBL4992958 0.82 ANPEP (0.32) GRIK1

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 GRIK1 413/4885PPARG 1820/4885PTGES 1711/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885PPARG 1405/4885PTGES 1056/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885PPARG 1828/4885PTGES 1514/4885

“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.