SCHEMBL4984591

SCHEMBL4984591

CCC(CCCc1c(Cl)cccc1Cl)CC(CN)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
GRIK1 P39086 3/20 0.36
GRIK2 Q13002 2/20 0.36
AKR1B1 P15121 1/20 0.36
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4990014 0.92 TAAR1 (0.39) TAAR1GRIK1GRIK2AKR1B1KDM4E
SCHEMBL4988054 0.89 GRIK1 (0.33) GRIK1
SCHEMBL4991467 0.88 MAPK1 (0.34) GRIK1GRIK2MMP2MMP3ALDH1A1
SCHEMBL4987957 0.87 GRIK1 (0.38) GRIK1MMP2MMP3GRM2GRM3
SCHEMBL4993648 0.87 TAAR1 (0.41) TAAR1GRIK1GRIK2ALDH1A1TAS1R3
SCHEMBL4986168 0.86 ALDH1A1 (0.41) TAAR1GRIK1GRIK2ALDH1A1HIF1A
SCHEMBL4984609 0.86 GRIK1 (0.37) GRIK1GRM2GRM3ALDH1A1LMNA
SCHEMBL4986401 0.85 GRIK1 (0.36) TAAR1GRIK1MMP2MMP3KDM4E
SCHEMBL4990076 0.85 GRIK1 (0.32) GRIK1LMNACYP2C9MAPK1ADRA1A
SCHEMBL4986615 0.85 TAAR1 (0.39) TAAR1GRIK1GRIK2AKR1B1LIPG

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 TAAR1 1437/4885GRIK1 413/4885GRIK2 201/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885GRIK1 304/4885GRIK2 177/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885GRIK1 415/4885GRIK2 196/4885

“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.