Sugi Predict

Sugi Predict / Compounds / SCHEMBL4990909

SCHEMBL4990909

SCHEMBL4990909

CCC(CC(CN)C(=O)O)c1cc(Cl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.38
▸ GABBR2 O75899 3/20 0.37
▸ GABBR1 Q9UBS5 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GRIK1 P39086 2/20 0.37
▸ GRIK2 Q13002 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL4992273 0.90 LMNA (0.41) LMNATP53
SCHEMBL4986518 0.85 GRIK1 (0.33) MMEGABBR2GABBR1LMNACYP3A4
SCHEMBL4985155 0.84 MEN1 (0.38) MMELMNACYP3A4CYP1A2MEN1
SCHEMBL4984391 0.84 NISCH (0.42) MEN1KMT2AGRIK1GRIK2ALDH1A1
SCHEMBL4986679 0.83 GRIK1 (0.33) MMEGRIK1GRIK2EPHX2PPARG
SCHEMBL4992947 0.82 ALDH1A1 (0.38) MMELMNACYP3A4CYP1A2MEN1
SCHEMBL4986118 0.81 GRIK1 (0.35) MMEGABBR2GABBR1LMNACYP3A4
SCHEMBL4994829 0.81 GABBR2 (0.54) GABBR2GABBR1LMNACYP3A4CYP1A2
SCHEMBL4991620 0.81 AKR1C3 (0.45) GABBR2GABBR1LMNACYP3A4CYP1A2
SCHEMBL4986512 0.81 SLC1A3 (0.33) MMELMNACYP1A2CYP2C9GRIK1

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 MME 2393/4885GABBR2 271/4885GABBR1 366/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885GABBR2 252/4885GABBR1 308/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885GABBR2 232/4885GABBR1 316/4885

“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.