SCHEMBL666505

SCHEMBL666505

CC(C)CC(C(N)=O)C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
RNPEP Q9H4A4 1/20 0.43
SLC1A3 P43003 3/20 0.42
SLC1A2 P43004 3/20 0.42
SLC1A1 P43005 2/20 0.39
CACNA2D1 P54289 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
CPA1 P15085 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LAP3 P28838 2/20 0.35
ANPEP P15144 1/20 0.35
FOLH1 Q04609 1/20 0.35

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
SCHEMBL3872939 1.00 SLC7A5 (0.48) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL664075 1.00 SLC7A5 (0.48) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL8871238 1.00 SLC7A5 (0.48) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL7453161 0.83 RNPEP (0.48) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL17283387 0.82 SLC7A5 (0.48) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL3686597 0.78 SLC1A3 (0.43) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL15980616 0.78 SLC1A3 (0.43) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL15980617 0.78 SLC1A3 (0.43) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL8872304 0.77 MMP1 (0.51) ANPEP
SCHEMBL8872299 0.77 MMP1 (0.51) ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111944248-A Anti-aging plastic particle and preparation method thereof 界首市鸿鑫塑业有限公司 2020-11-17 CN claimed
CN-104290364-B Plastic wire of a kind of anti-light aging and preparation method thereof NINGXIA RUNLONG PACKAGING NEW MATERIAL CO., LTD. (CN) 2016-03-02 CN claimed
CN-105175276-A Synthetic method for optically pure(R)-3-carbamyl methyl-5-methyl caproic acid EASTSKY PHARM ANHUI TECHNOLOGY CO LTD 2015-12-23 CN claimed
CN-104290364-A Anti-photoaging plastic filament and preparation method of anti-photoaging plastic filament NINGXIA RUNLONG PACKAGING NEW MATERIAL CO LTD 2015-01-21 CN claimed
US-20140323758-A1 NOVEL PROCESS FOR RACEMIZATION OF AN OPTICALLY ACTIVE (S)-3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID TO CORRESPONDING 3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID RACEMATE LUPIN LIMITED (IN) 2014-10-30 US claimed
EP-2782901-A1 NOVEL PROCESS FOR RACEMIZATION OF AN OPTICALLY ACTIVE (S)-3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID TO CORRESPONDING 3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID RACEMATE Lupin Limited (IN) 2014-10-01 EP claimed
WO-2013076630-A1 NOVEL PROCESS FOR RACEMIZATION OF AN OPTICALLY ACTIVE (S)-3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID TO CORRESPONDING 3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID RACEMATE LUPIN LIMITED (IN) 2013-05-30 WO claimed
US-20090137842-A1 PREGABALIN -4-ELIMINATE, PREGABALIN 5-ELIMINATE, THEIR USE AS REFERENCE MARKER AND STANDARD, AND METHOD TO PRODUCE PREGABALIN CONTAINING LOW LEVELS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-28 US claimed
WO-2009046309-A2 PREGABALIN -4-ELIMINATE, PREGABALIN 5-ELIMINATE, THEIR USE AS REFERENCE MARKER AND STANDARD, AND METHOD TO PRODUCE PREGABALIN CONTAINING LOW LEVELS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-09 WO claimed
CN-111944248-A Anti-aging plastic particle and preparation method thereof 界首市鸿鑫塑业有限公司 2020-11-17 CN disclosed
CN-209655725-U A kind of total closed type bipyramid drying device JIANGXI JINFENG PHARMACEUTICAL CO LTD 2019-11-19 CN disclosed
CN-209655725-U A kind of total closed type bipyramid drying device JIANGXI JINFENG PHARMACEUTICAL CO LTD 2019-11-19 CN disclosed
CN-104290364-B Plastic wire of a kind of anti-light aging and preparation method thereof NINGXIA RUNLONG PACKAGING NEW MATERIAL CO., LTD. (CN) 2016-03-02 CN disclosed
EP-2391600-B1 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-01-06 EP disclosed
US-20070287859-A1 Optical resolution of 3-carbamoylmethyl-5-methyl hexanoic acid HEDVATI LILACH 2007-12-13 US disclosed
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL USA, INC. 2007-08-16 US disclosed
US-5703092-A TREATING ARTHRITIS, OTHER INFLAMMATORY DISEASES MEDIATED BY MATRIX METALLOPROTEINASE AND/OR TUMOR NECROSIS FACTOR THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-30 US disclosed
EP-0684830-A4 INHIBITORS OF THROMBOSIS. CORVAS INT INC (US) 1996-04-17 EP disclosed
EP-0684830-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1995-12-06 EP disclosed
WO-1994017817-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-08-18 WO 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 (4 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-20090137842-A1 PREGABALIN -4-ELIMINATE, PREGABALIN 5-ELIMINATE, THEIR USE AS REFERENCE MARKER AND STANDARD, AND METHOD TO PRODUCE PREGABALIN CONTAINING LOW LEVELS THEREOF GABRG2, GABRG1, GABRA5 SLC7A5 748/4885RNPEP 846/4885SLC1A3 368/4885
US-20140323758-A1 NOVEL PROCESS FOR RACEMIZATION OF AN OPTICALLY ACTIVE (S)-3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID TO CORRESPONDING 3-CARBAMOYLMETHYL-5-METHYL-HEXANOIC ACID RACEMATE ACMSD, HCAR3, ALKBH5 SLC7A5 1952/4885RNPEP 957/4885SLC1A3 1345/4885
US-20070287859-A1 Optical resolution of 3-carbamoylmethyl-5-methyl hexanoic acid GRM3, GRM6, GABRE SLC7A5 1934/4885RNPEP 3151/4885SLC1A3 214/4885
US-20070191636-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin GABRE, GABRA5, GABRA6 SLC7A5 819/4885RNPEP 3729/4885SLC1A3 83/4885

“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.