SCHEMBL4382803

SCHEMBL4382803

CC(C)C[C@H](C)C[C@@H](CN)CC(=O)O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.81
CACNB3 P54284 1/20 0.81
CACNA1C Q13936 1/20 0.81
PGR P06401 1/20 0.81
ADRA1A P35348 1/20 0.81
HTR2B P41595 1/20 0.81
CACNA2D2 Q9NY47 1/20 0.81
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
SLC7A5 Q01650 1/20 0.39
RNPEP Q9H4A4 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MME P08473 2/20 0.34
CYP1A2 P05177 1/20 0.34
BHMT Q93088 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
LAP3 P28838 2/20 0.32

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
SCHEMBL1913716 1.00 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3116242 1.00 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4378869 1.00 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4388478 1.00 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3110780 1.00 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL27754092 0.90 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL1561104 0.90 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL15497 0.90 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL2370227 0.90 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL263450 0.90 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (2 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A CACNA2D1 26/4885CACNB3 56/4885CACNA1C 29/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A CACNA2D1 26/4885CACNB3 56/4885CACNA1C 29/4885

“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.