SCHEMBL1913733

SCHEMBL1913733

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.58
GABBR1 Q9UBS5 4/20 0.58
CYP2C9 P11712 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
NFKB1 P19838 1/20 0.58
DRD3 P35462 1/20 0.58
BLM P54132 1/20 0.58
CYP1A2 P05177 1/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 1/20 0.58
CACNA2D1 P54289 2/20 0.53
CACNB3 P54284 1/20 0.53
CACNA1C Q13936 1/20 0.53
PGR P06401 1/20 0.53

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
SCHEMBL26698 0.86 CACNA2D1 (0.58) GABBR2GABBR1CYP2C19CYP3A4CACNA2D1
SCHEMBL30514317 0.83 CACNA2D1 (0.47) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL1913816 0.83 CACNA2D1 (0.47) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL1913525 0.82 CACNA2D1 (0.50) KMT2ATSHRCACNA2D1CACNB3CACNA1C
SCHEMBL2554154 0.80 FFAR1 (0.61) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL2466431 0.80 FFAR1 (0.61) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL2556175 0.80 FFAR1 (0.61) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL1913972 0.79 CACNA2D1 (0.50) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL1913970 0.79 CACNA2D1 (0.50) GABBR2GABBR1CYP2C9KMT2ALMNA
SCHEMBL3124583 0.79 CACNA2D1 (0.50) GABBR2GABBR1CYP2C9KMT2ALMNA

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US claimed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US claimed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP claimed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US claimed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US claimed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US claimed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US claimed
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2017-08-24 US claimed
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY 2017-07-13 US claimed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP claimed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 WO claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2004-04-01 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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 GABBR2 4/4885GABBR1 6/4885CYP2C9 2700/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 GABBR2 492/4885GABBR1 567/4885CYP2C9 4877/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 GABBR2 492/4885GABBR1 567/4885CYP2C9 4877/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 GABBR2 1098/4885GABBR1 1163/4885CYP2C9 2552/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 GABBR2 702/4885GABBR1 747/4885CYP2C9 4871/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 GABBR2 492/4885GABBR1 567/4885CYP2C9 4877/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT GABBR2 127/4885GABBR1 161/4885CYP2C9 2429/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 GABBR2 4/4885GABBR1 6/4885CYP2C9 2700/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 GABBR2 14/4885GABBR1 7/4885CYP2C9 435/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 GABBR2 3/4885GABBR1 2/4885CYP2C9 915/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 GABBR2 14/4885GABBR1 7/4885CYP2C9 435/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT GABBR2 127/4885GABBR1 161/4885CYP2C9 2429/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 GABBR2 492/4885GABBR1 567/4885CYP2C9 4877/4885

“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.