SCHEMBL3872939

SCHEMBL3872939

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
SCHEMBL666505 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156732-A A kind of synthetic method of optical voidness (R) -3- carbamoylmethyl -5- methylhexanoic acid 安徽东凯生物科技有限公司 2019-08-23 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-114686465-B Synthesis method of hydrolase and (R) - (-) -3- (carbamoylmethyl) -5-methylhexanoic acid 宁波酶赛生物工程有限公司 2024-03-22 CN disclosed
CN-114686465-A Method for synthesizing hydrolase and (R) - (-) -3- (carbamoylmethyl) -5-methylhexanoic acid 宁波酶赛生物工程有限公司 2022-07-01 CN disclosed
CN-110156732-A A kind of synthetic method of optical voidness (R) -3- carbamoylmethyl -5- methylhexanoic acid 安徽东凯生物科技有限公司 2019-08-23 CN disclosed
CN-110156732-A A kind of synthetic method of optical voidness (R) -3- carbamoylmethyl -5- methylhexanoic acid 安徽东凯生物科技有限公司 2019-08-23 CN disclosed
CN-110156732-A A kind of synthetic method of optical voidness (R) -3- carbamoylmethyl -5- methylhexanoic acid 安徽东凯生物科技有限公司 2019-08-23 CN disclosed
CN-109970541-A A kind of preparation method of pregabalin intermediate (R) -3- carbamoyhnethyl -5- methylhexanoic acid 南京方生和医药科技有限公司 2019-07-05 CN disclosed
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 disclosed
US-7563923-B2 Prepared by decyclization and amidation of 3-isobutylglutaric anhydride with chiral 1-amino-1-arylalkane by dissolving amine in aromatic hydrocarbon, ether, halogenated hydrocarbon, alcohol, ester, alkane, or ketone solvent; cooling to +10 to -70 degrees C.; and reacting with anhydride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-21 US disclosed
US-7470812-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-30 US disclosed
US-7465826-B2 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-16 US disclosed
US-20080051602-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-Pregabalin KANSAL VINOD K 2008-02-28 US disclosed
US-20080045747-A1 Chiral 3-carbamoylmethyl-5-methyl hexanoic acids, key intermediates for the synthesis of (S)-pregabalin KANSAL VINOD K 2008-02-21 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
EP-1802568-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-04 EP disclosed
WO-2007035789-A1 CHIRAL 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACIDS, KEY INTERMEDIATES FOR THE NEW SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-29 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-20080045747-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
US-20080051602-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
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.