SCHEMBL1913628

SCHEMBL1913628

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.50
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
CYP1A2 P05177 1/20 0.40
MAOB P27338 1/20 0.40
FFAR2 O15552 1/20 0.39
CTBP2 P56545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL7417555 1.00 PNMT (0.50) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL3121534 1.00 PNMT (0.50) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL30514325 1.00 PNMT (0.50) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL3108210 0.88 CACNA2D1 (0.43) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL30514326 0.88 CACNA2D1 (0.43) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913964 0.88 CACNA2D1 (0.43) PNMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913850 0.85 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1914050 0.85 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7413267 0.85 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3108483 0.85 SLC1A1 (0.48) 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 117 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 PNMT 4318/4885CACNA2D1 2778/4885CACNB3 1948/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 PNMT 2241/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 PNMT 2241/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 PNMT 322/4885CACNA2D1 4227/4885CACNB3 2185/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 PNMT 3451/4885CACNA2D1 3541/4885CACNB3 1477/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 PNMT 2241/4885CACNA2D1 3713/4885CACNB3 1205/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT PNMT 1052/4885CACNA2D1 4464/4885CACNB3 2558/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 PNMT 4318/4885CACNA2D1 2778/4885CACNB3 1948/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 PNMT 959/4885CACNA2D1 484/4885CACNB3 586/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 PNMT 950/4885CACNA2D1 312/4885CACNB3 141/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 PNMT 959/4885CACNA2D1 484/4885CACNB3 586/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT PNMT 1052/4885CACNA2D1 4464/4885CACNB3 2558/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 PNMT 2241/4885CACNA2D1 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.