SCHEMBL1913758

SCHEMBL1913758

C[C@H](Cc1cccc(F)c1)C[C@H](CN)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.48
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
FFAR1 O14842 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
MAOB P27338 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL30514342 1.00 SLC1A1 (0.48) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3108483 1.00 SLC1A1 (0.48) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913819 0.88 CACNA2D1 (0.43) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3124075 0.88 CACNA2D1 (0.43) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL30514323 0.88 CACNA2D1 (0.43) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913850 0.85 CACNA2D1 (0.54) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1914050 0.85 CACNA2D1 (0.54) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL7413267 0.85 CACNA2D1 (0.54) SLC1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL3121534 0.85 PNMT (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913628 0.85 PNMT (0.50) 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 114 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 SLC1A1 146/4885CACNA2D1 2778/4885CACNB3 1948/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 SLC1A1 2646/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 SLC1A1 2646/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 SLC1A1 240/4885CACNA2D1 4227/4885CACNB3 2185/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 SLC1A1 1983/4885CACNA2D1 3541/4885CACNB3 1477/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 SLC1A1 2646/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SLC1A1 211/4885CACNA2D1 4464/4885CACNB3 2558/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 SLC1A1 146/4885CACNA2D1 2778/4885CACNB3 1948/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 SLC1A1 69/4885CACNA2D1 484/4885CACNB3 586/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 SLC1A1 61/4885CACNA2D1 312/4885CACNB3 141/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 SLC1A1 69/4885CACNA2D1 484/4885CACNB3 586/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT SLC1A1 211/4885CACNA2D1 4464/4885CACNB3 2558/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 SLC1A1 2646/4885CACNA2D1 3713/4885CACNB3 1205/4885

“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.