SCHEMBL664075

SCHEMBL664075

CC(C)CC(C(N)=O)[C@H](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
SCHEMBL666505 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10131625-B2 Method for preparing 3-carbamoymethyl-5-methylhexanoic acid in recycling way ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-11-20 US 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-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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-8476441-B2 Intermediates in the enantioselective synthesis of 3-(aminomethyl)-5-methyl-hexanoic acid THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2013-07-02 US disclosed
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 disclosed
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 disclosed
US-20120046468-A1 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID THE PROVOST,FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY LAND AND UNDIVIDED TRINITY OF QUEEN ELIZ (IE) 2012-02-23 US disclosed
EP-2391600-A2 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-12-07 EP disclosed
WO-2010086429-A2 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2010-08-05 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 (3 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-20120046468-A1 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID FAAH, ALDH7A1, GABRE SLC7A5 993/4885RNPEP 1743/4885SLC1A3 122/4885
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-10131625-B2 Method for preparing 3-carbamoymethyl-5-methylhexanoic acid in recycling way ALKBH5, ALKBH1, ALKBH3 SLC7A5 843/4885RNPEP 1978/4885SLC1A3 2400/4885

“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.