SCHEMBL6704459

SCHEMBL6704459

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.59
CACNB3 P54284 1/20 0.59
CACNA1C Q13936 1/20 0.59
PGR P06401 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
CACNA2D2 Q9NY47 1/20 0.59
GABRR1 P24046 4/20 0.35
LMNA P02545 1/20 0.35
BHMT Q93088 1/20 0.33
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 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
SCHEMBL6902213 1.00 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913749 0.89 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29140014 0.89 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3108476 0.89 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3120929 0.86 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3125520 0.86 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3126506 0.86 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4383738 0.86 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL25858 0.86 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13752149 0.86 CACNA2D1 (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP claimed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO claimed
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 TAYLOR CHARLES PRICE (US) 2003-10-23 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 (5 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-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 CACNG2, GABRB2, CACNG4 CACNA2D1 107/4885CACNB3 73/4885CACNA1C 40/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 CACNA2D1 312/4885CACNB3 141/4885CACNA1C 147/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 CACNA2D1 484/4885CACNB3 586/4885CACNA1C 266/4885

“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.