Valine

Valine

SCHEMBL935768

CC(C)[C@H](N)C(=O)O.NC(=O)O.NC(=O)O

nearest known ligand 0.88

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.88
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
ACHE P22303 2/20 0.41
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LAP3 P28838 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 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
Valine SCHEMBL756026 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1ACHE
Valine SCHEMBL296920 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1ACHE
Valine SCHEMBL4340306 0.97 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1ACHE
Valine SCHEMBL4340303 0.97 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1ACHE
Valine SCHEMBL2213629 0.94 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1ACHE
Valine SCHEMBL8516 0.94
Valine SCHEMBL1813972 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL41225 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL43678 0.94
Valine SCHEMBL2785563 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-04-28 US disclosed
WO-2011011766-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC (US) 2011-01-27 WO disclosed
WO-2011007247-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-01-20 WO disclosed
US-6399776-B2 Processes and intermediates in the synthesis of 5-(3-exo-bicyclo[2.2.1]hept-2-yloxy-4-methoxyphenyl)-3,4,5,6-tetrahydropyrimidine-2(1H)-one PFIZER INC 2002-06-04 US disclosed
US-20010041798-A1 Processes and intermediates in the synthesis of 5-(3-{exo-bicyclo{2.2.1}hept-2-yloxy]-4-methoxyphenyl)-3,4,5,6- tetrahydropyrimidin-2(1H)-one LACOUR THOMAS G (US) 2001-11-15 US disclosed
US-6274733-B1 Process and intermediates in the synthesis of 5-(3-[exo-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl)-3,4,5,6-tetrahydro-pyrimidin-2(1H)-one PFIZER INC. 2001-08-14 US disclosed
US-6022968-A Processes for the synthesis of 5-(3-[exo-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl)-3,4,5,6-tetrahydr opyrimidin-2(1H)-one PFIZER INC (US) 2000-02-08 US disclosed
EP-0775119-A1 PROCESSES AND INTERMEDIATES IN THE SYNTHESIS OF 5-(3- EXO-BICYCLO 2.2.1]HEPT-2-YLOXY]-4-METHOXYPHENYL)-3,4,5,6-TETRAHYDROPYRIMIDIN-2(1H)-ONE PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004253-A1 PROCESSES AND INTERMEDIATES IN THE SYNTHESIS OF 5-(3-[EXO-BICYCLO[2.2.1]HEPT-2-YLOXY]-4-METHOXYPHENYL)-3,4,5,6-TETRAHYDROPYRIMIDIN-2(1H)-ONE PFIZER INC. (US) 1996-02-15 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 (2 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-20110098278-A1 GALANTAMINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF PEPD, VIP, GALR1 SLC7A5 72/4885SLC1A3 83/4885SLC1A2 68/4885
US-20010041798-A1 Processes and intermediates in the synthesis of 5-(3-{exo-bicyclo{2.2.1}hept-2-yloxy]-4-methoxyphenyl)-3,4,5,6- tetrahydropyrimidin-2(1H)-one EXOC3, EXOC4, EXOC1 SLC7A5 2400/4885SLC1A3 4651/4885SLC1A2 4533/4885

“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.