SCHEMBL4986526

SCHEMBL4986526

CCC(CCCc1ccc(F)cc1)CC(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
MME P08473 1/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 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
SCHEMBL4990023 0.92 MMP3 (0.42) GRIK1MMEMMP2MMP3TDP1
SCHEMBL4992818 0.88 GRIK1 (0.44) GRIK1LMNAS1PR2S1PR1TAAR1
SCHEMBL4983416 0.88 GRIK1 (0.44) GRIK1TDP1S1PR2S1PR1TAAR1
SCHEMBL4987558 0.87 GRIK1 (0.37) GRIK1MMEMMP2MMP3
SCHEMBL4988281 0.87 PPARA (0.47) GRIK1MMEMMP2MMP3PPARG
SCHEMBL4986369 0.86 GRIK1 (0.38) GRIK1MMEMMP2MMP3
SCHEMBL4990052 0.86 PPARA (0.48) GRIK1MMP2MMP3TAAR1PTGES
SCHEMBL4992665 0.85 GRIK1 (0.42) GRIK1MMP2MMP3TAAR1PPARG
SCHEMBL4984018 0.85 PPARG (0.45) GRIK1MMP2MMP3TAAR1ALOX5
SCHEMBL3994685 0.84 GRIK1 (0.45) GRIK1MMEMMP2MMP3NPC1

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 413/4885MME 2393/4885MMP2 4647/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GRIK1 304/4885MME 2286/4885MMP2 4713/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GRIK1 415/4885MME 2084/4885MMP2 4616/4885

“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.