SCHEMBL10013283

SCHEMBL10013283

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.69
CACNA1C Q13936 2/20 0.69
CACNB3 P54284 1/20 0.69
PGR P06401 1/20 0.69
ADRA1A P35348 1/20 0.69
HTR2B P41595 1/20 0.69
CACNA2D2 Q9NY47 1/20 0.69
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC7A5 Q01650 1/20 0.38
RNPEP Q9H4A4 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
LAP3 P28838 4/20 0.32
ANPEP P15144 3/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL10054693 1.00 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL17278430 1.00 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18100236 0.85 ALDH1A1 (0.60) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL13382791 0.85 ALDH1A1 (0.60) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL12081863 0.83
Pregabalin SCHEMBL15497 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL1561104 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL263450 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
Pregabalin SCHEMBL2370227 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL2693051 0.82 CACNA2D1 (0.69) CACNA2D1CACNA1CCACNB3PGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-3265074-B1 PREGABALIN IMMUNOASSAYS ARK DIAGNOSTICS INC (US) 2020-08-12 EP disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
US-9958464-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2018-05-01 US disclosed
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 disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20160282370-A1 PREGABALIN IMMUNOASSAYS ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2016-09-29 US disclosed
US-9320725-B2 Pharmaceutical composition comprising (1r,4r)-6′-fluoro-N,N-dimethyl-4-phenyl-4′9′-dihydro-3′H-spiro[cyclohexane-1,1′-pyrano[3,4,b]indol]-4-amine and a gabapentinoid GRUENENTHAL GMBH (DE) 2016-04-26 US disclosed
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-11-26 US disclosed
US-8168828-B2 Process for the preparation of pregabalin MSN LABORATORIES, LIMITED (IN) 2012-05-01 US disclosed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US disclosed
US-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GENERICS (UK) LIMITED (GB) 2011-08-04 US disclosed
US-20100324139-A1 PROCESS TO PREGABALIN GENERICS [UK] LIMITED (GB) 2010-12-23 US disclosed
US-7763749-B2 Method for the preparation of Pregabalin and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-07-27 US disclosed
US-20100179345-A1 NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES, LIMITED (IN) 2010-07-15 US disclosed
WO-2009118580-A2 GABA ANALOGS, COMPOSITIONS, AND METHODS FOR MANUFACTURING THEREOF ANCHEN LABORATORIES, INC (US) 2009-10-01 WO disclosed
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 US disclosed
US-7462737-B2 Pregabalin free of isobutylglutaric acid and a process for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-09 US disclosed
US-20070073085-A1 Method for the preparation of pregabalin and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 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 (12 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CACNA2D1 4820/4885CACNA1C 4813/4885CACNB3 4619/4885
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ADH5, ALDH7A1, ADH1C CACNA2D1 360/4885CACNA1C 351/4885CACNB3 575/4885
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN GABRA5, GABRA6, GABRE CACNA2D1 175/4885CACNA1C 206/4885CACNB3 252/4885
US-20160282370-A1 PREGABALIN IMMUNOASSAYS GABRG3, GABRG1, GABRB2 CACNA2D1 107/4885CACNA1C 168/4885CACNB3 46/4885
US-20110190393-A1 NOVEL AND EFFICIENT METHOD FOR THE SYNTHESIS OF AN AMINO ACID GLUL, GRIK5, GABRE CACNA2D1 244/4885CACNA1C 98/4885CACNB3 114/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 CACNA2D1 4227/4885CACNA1C 3005/4885CACNB3 2185/4885
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CACNA2D1 4820/4885CACNA1C 4813/4885CACNB3 4619/4885
US-20070073085-A1 Method for the preparation of pregabalin and salts thereof GABRG1, GABRG2, GABRG3 CACNA2D1 127/4885CACNA1C 26/4885CACNB3 32/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CACNA2D1 4464/4885CACNA1C 3394/4885CACNB3 2558/4885
US-20100324139-A1 PROCESS TO PREGABALIN GABRB2, GABRE, GABRB1 CACNA2D1 195/4885CACNA1C 66/4885CACNB3 75/4885
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 CACNA2D1 4227/4885CACNA1C 3005/4885CACNB3 2185/4885
US-20100179345-A1 NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN GAP43, RIMKLA, GABRE CACNA2D1 504/4885CACNA1C 246/4885CACNB3 515/4885

“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.