SCHEMBL1913741

SCHEMBL1913741

COc1ccc(OCC[C@@H](C)C[C@H](CN)CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.45
CACNB3 P54284 1/20 0.45
CACNA1C Q13936 1/20 0.45
PGR P06401 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
CACNA2D2 Q9NY47 1/20 0.45
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 7/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL3114126 1.00 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7174635 1.00 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6462627 0.90 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913698 0.90 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3114806 0.90 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3122237 0.89 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913856 0.89 PPARG (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3238694 0.89 PPARG (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7175154 0.89 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913799 0.89 CACNA2D1 (0.44) 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 112 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 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 CACNA2D1 3713/4885CACNB3 1205/4885CACNA1C 2214/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 CACNA2D1 3713/4885CACNB3 1205/4885CACNA1C 2214/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 CACNA2D1 4227/4885CACNB3 2185/4885CACNA1C 3005/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 CACNA2D1 3541/4885CACNB3 1477/4885CACNA1C 2966/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 CACNA2D1 3713/4885CACNB3 1205/4885CACNA1C 2214/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CACNA2D1 2778/4885CACNB3 1948/4885CACNA1C 1996/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 CACNA2D1 484/4885CACNB3 586/4885CACNA1C 266/4885
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
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNB3 2558/4885CACNA1C 3394/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 CACNA2D1 3713/4885CACNB3 1205/4885CACNA1C 2214/4885

“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.