SCHEMBL4989822

SCHEMBL4989822

CC(CC(CN)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.49
GABBR1 Q9UBS5 6/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 2/20 0.49
THRB P10828 2/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD3 P35462 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
GRIK1 P39086 2/20 0.42

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
SCHEMBL4992264 0.85 ACHE (0.47) LMNACYP2C19POLBGRIK1GRIK2
SCHEMBL4987299 0.85 ESR1 (0.44) CYP2C9CYP2C19CYP3A4NFKB1TSHR
SCHEMBL4991426 0.84 GABBR2 (0.46) GABBR2GABBR1CYP2C9LMNAMEN1
SCHEMBL4984318 0.84 GRN (0.43) GABBR2GABBR1CYP2C9LMNAMEN1
SCHEMBL4986551 0.84 GABBR2 (0.41) GABBR2GABBR1LMNAPOLBGRIK1
SCHEMBL4987822 0.83 AKR1C3 (0.45) LMNASMN1; SMN2GRIK1GRIK2
SCHEMBL29653426 0.82 GABBR2 (0.50) GABBR2GABBR1CYP2C9LMNAMEN1
SCHEMBL4990980 0.82 ALDH1A1 (0.45) LMNAMEN1KMT2ATSHRGRIK1
SCHEMBL4993403 0.81 AKR1C3 (0.47) GRIK1GRIK2EPHX2PPARG
SCHEMBL4983941 0.81 LDHA (0.45) CYP2C19CYP1A2TSHRSMN1; SMN2RAB9A

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 GABBR2 271/4885GABBR1 366/4885CYP2C9 2603/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A GABBR2 252/4885GABBR1 308/4885CYP2C9 2863/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GABBR2 232/4885GABBR1 316/4885CYP2C9 2405/4885

“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.