Sugi Predict

Sugi Predict / Compounds / SCHEMBL4995065

SCHEMBL4995065

SCHEMBL4995065

CCC(CCc1cccc(Cl)c1Cl)CC(CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.43
▸ ADA P00813 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ GRIK1 P39086 2/20 0.38
▸ GRIK2 Q13002 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ CTSG P08311 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ REN P00797 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ PTPRG P23470 1/20 0.33

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
SCHEMBL4993648 0.93 TAAR1 (0.41) TAAR1ADAPNMTGRIK1GRIK2
SCHEMBL4993529 0.90 SLC6A2 (0.46) TAAR1PNMTGRIK1GRIK2ALDH1A1
SCHEMBL4985902 0.89 GRIK1 (0.32) GRIK1GRIK2ALDH1A1SLC6A2SLC6A4
SCHEMBL4990095 0.88 PNMT (0.41) TAAR1PNMTGRIK1GRIK2ALDH1A1
SCHEMBL4990014 0.86 TAAR1 (0.39) TAAR1GRIK1GRIK2ALDH1A1TAS1R3
SCHEMBL4987465 0.85 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL4990845 0.84 CPB2 (0.31) —
SCHEMBL4986168 0.83 ALDH1A1 (0.41) TAAR1PNMTGRIK1GRIK2ALDH1A1
SCHEMBL4993917 0.82 CPB2 (0.32) GRIK1GRIK2
SCHEMBL4994204 0.82 GRIK1 (0.33) GRIK1GRIK2

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 1437/4885ADA 2477/4885PNMT 2239/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885ADA 2678/4885PNMT 1531/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885ADA 2043/4885PNMT 2122/4885

“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.